12-(4-{[5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl]carbamoyl}phenyl)-7,8,8,16,16,17-hexamethyl-20-sulfo-2-oxa-6,18-diazapentacyclo[11.7.0.0³,¹¹.0⁵,⁹.0¹⁵,¹⁹]icosa-1(20),3,5,9,11,13,15(19)-heptaen-6-ium-4-sulfonate
Structure Info
- Chemspace ID
- CSSB06645150676 (In-Stock Building Blocks)
- IUPAC Name
- 12-(4-{[5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl]carbamoyl}phenyl)-7,8,8,16,16,17-hexamethyl-20-sulfo-2-oxa-6,18-diazapentacyclo[11.7.0.0³,¹¹.0⁵,⁹.0¹⁵,¹⁹]icosa-1(20),3,5,9,11,13,15(19)-heptaen-6-ium-4-sulfonate
- Mol formula
- C39H42N4O10S2
- Mol weight
- 791 Da
- Catalog Number(s)
- AP12420, BIPG1931, BP-25558
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0
- Heavy atoms count
- 55
- Rotatable bond count
- 10
- Number of rings
- 7
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 213
- Hydrogen bond acceptors count
- 11
- Hydrogen bond donors count
- 4
![Chemical structure of 12-(4-{[5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl]carbamoyl}phenyl)-7,8,8,16,16,17-hexamethyl-20-sulfo-2-oxa-6,18-diazapentacyclo[11.7.0.0³,¹¹.0⁵,⁹.0¹⁵,¹⁹]icosa-1(20),3,5,9,11,13,15(19)-heptaen-6-ium-4-sulfonate (C39H42N4O10S2) - CSSB06645150676](/st/structure/200/383f814601bbcb61a6325904215b63b6/CC1Nc2c%2528cc3C%2528c4ccc%2528cc4%2529C%2528%253DO%2529NCCCCCN4C%2528%253DO%2529C%253DCC4%253DO%2529%253Dc4cc5c%2528%253D%255BNH%252B%255DC%2528C%2529C5%2528C%2529C%2529c%2528c4Oc3c2S%2528O%2529%2528%253DO%2529%253DO%2529S%2528%255BO-%255D%2529%2528%253DO%2529%253DO%2529C1%2528C%2529C.png "C39H42N4O10S2")
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- CSSB06645150676
Items Overall 4 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Broadpharm | 20 days | United States To: | 90 | 1 mg | 205.70 | |
| Broadpharm | 20 days | United States To: | 90 | 5 mg | 678.70 | |
| Broadpharm | 20 days | United States To: | 90 | 25 mg | 1,917.30 | |
| Broadpharm | 20 days | United States To: | 90 | 100 mg | 3,545.30 | |
Description: BP Fluor 532 Maleimide; CAS: 890928-51-5 | ||||||
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