N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-methylacetamido)-2,4,6-triiodobenzene-1,3-dicarboxamide
Structure Info
- Chemspace ID
- CSSB00000053750 (In-Stock Building Blocks)
- CAS
- 78649-41-9
- MFCD
- MFCD00867961
- IUPAC Name
- N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-methylacetamido)-2,4,6-triiodobenzene-1,3-dicarboxamide
- Mol formula
- C17H22I3N3O8
- Mol weight
- 777 Da
- Catalog Number(s)
- 1185146-41-1, 36397, 77333, 78649-41-9, AA0058PL, AC44469, ACM1185146411, AG0058SD, AKOS030255901, APS78649419, APS78649419A, AR0059HD, AT46190, BLP-011906, CSC000053750, EBC-27464, EC005AY5, EN300-19767832, FI24633, HY-150137, I730500, LN01289280, OR1110106, ST005A95, T86726, TX0059Y1, Y3314015
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.45
- Heavy atoms count
- 31
- Rotatable bond count
- 10
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.47058823529412
- Polar surface area (Å)
- 180
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 7
- Zoom the structure
- CSSB00000053750
Items Overall 30 items from 11 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Astatech CN | 2 days | China To: | 95 | 1 mg | 354.20 | |
| Astatech CN | 2 days | China To: | 95 | 5 mg | 964.70 | |
| Astatech CN | 2 days | China To: | 95 | 10 mg | 1,514.70 | |
Description: IOMEPROL; CAS: 78649-41-9 | ||||||
| Astatech Inc | 2 days | United States To: | 95 | 1 mg | 354.20 | |
| Astatech Inc | 2 days | United States To: | 95 | 5 mg | 964.70 | |
| Astatech Inc | 2 days | United States To: | 95 | 10 mg | 1,514.70 | |
Description: IOMEPROL; CAS: 78649-41-9 | ||||||
| 1st Scientific CN | 3 days | China To: | 95 | 1 mg | 370.70 | |
| 1st Scientific CN | 3 days | China To: | 95 | 5 mg | 981.20 | |
| 1st Scientific CN | 3 days | China To: | 95 | 10 mg | 1,531.20 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 95 | 1 mg | 370.70 | |
| 1st Scientific LLC | 3 days | United States To: | 95 | 5 mg | 981.20 | |
| 1st Scientific LLC | 3 days | United States To: | 95 | 10 mg | 1,531.20 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| Angene International Limited | 10 days | China To: | 98 | 1 mg | 177.30 | |
| Angene International Limited | 10 days | China To: | 98 | 5 mg | 378.00 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 1 mg | 254.15 | |
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 5 mg | 547.40 | |
| A2B Chem | 12 days | United States To: | 95 | 1 mg | 443.90 | |
| A2B Chem | 12 days | United States To: | 95 | 5 mg | 1,153.45 | |
| A2B Chem | 12 days | United States To: | 95 | 10 mg | 1,791.70 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| AA BLOCKS | 12 days | United States To: | 95 | 1 mg | 468.60 | |
| AA BLOCKS | 12 days | United States To: | 95 | 5 mg | 1,222.10 | |
| AA BLOCKS | 12 days | United States To: | 95 | 10 mg | 1,900.80 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| eNovation CN | 20 days | China To: | 98 | 1 mg | 316.25 | |
| eNovation CN | 20 days | China To: | 98 | 5 mg | 575.00 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 98 | 1 mg | 317.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 98 | 5 mg | 679.80 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
| 10X CHEM | TBD | United States To: | 95 | 1 mg | 350.90 | |
| 10X CHEM | TBD | United States To: | 95 | 5 mg | 955.90 | |
| 10X CHEM | TBD | United States To: | 95 | 10 mg | 1,500.40 | |
| 10X CHEM | TBD | United States To: | 95 | 25 mg | 3,190.00 | |
Description: N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide; CAS: 78649-41-9 | ||||||
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Substructure Analogs
![Chemical structure of N1,N3-bis(2,3-dihydroxypropyl)-5-[2-hydroxy-N-(2-hydroxyethyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide - CSSB00020618400](/st/structure/200/89b56240d859f0d6c9229d3329253edb/OCCN%2528C%2528%253DO%2529CO%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I.png)
Similarity Analogs
![Chemical structure of 5-{N-[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide - CSSB00000054243](/st/structure/200/803ea14d67412d26b4f8bf11b2462c62/CC%2528%253DO%2529N%2528CC%2528O%2529CN%2528C%2528C%2529%253DO%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I.png)
![Chemical structure of N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide - CSSB00000053777](/st/structure/200/84b0e2e7350028d10c4902935742db50/CC%2528%253DO%2529N%2528CC%2528O%2529CO%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I.png)
![Chemical structure of N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxy-3-methoxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide - CSSB00020657220](/st/structure/200/ca06310b4c53a378e030dade25eb6edd/COCC%2528O%2529CN%2528C%2528C%2529%253DO%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I.png)
![Chemical structure of 5-{N-[3-(N-{3-carbamoyl-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide - CSSB02515443650](/st/structure/200/3ca3a831d3e8ee12af3377c441f758dd/CC%2528%253DO%2529N%2528CC%2528O%2529CN%2528C%2528C%2529%253DO%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I%2529C1%253DC%2528I%2529C%2528C%2528N%2529%253DO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I.png)
![Chemical structure of 5-{[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]amino}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide - CSSB02515443030](/st/structure/200/6bf46f939050683f529b1cdf04865c9d/CC%2528%253DO%2529N%2528CC%2528O%2529CNC1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I%2529C1%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC%2528I%2529C%2528C%2528%253DO%2529NCC%2528O%2529CO%2529%253DC1I.png)
