2-{3-cyano-4-[2-(²H₃)methyl(2,3,3,3-²H₄)propoxy]phenyl}-4-methyl-1,3-thiazole-5-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00159245669 (In-Stock Building Blocks)
- MFCD
- MFCD21363616
- IUPAC Name
- 2-{3-cyano-4-[2-(²H₃)methyl(2,3,3,3-²H₄)propoxy]phenyl}-4-methyl-1,3-thiazole-5-carboxylic acid
- Mol formula
- C16H16N2O3S
- Mol weight
- 323 Da
- Catalog Number(s)
- AA009X6M, ACM1285539743, AE62810, AGN-PC-0WBNPN, BLP-012352, CSC159245669, F229003, HY-14268S1, LN01299065, ST009YQ6, TMIJ-0161, TX009YF2
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.52
- Heavy atoms count
- 22
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.312
- Polar surface area (Å)
- 83
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
![Chemical structure of 2-{3-cyano-4-[2-(²H₃)methyl(2,3,3,3-²H₄)propoxy]phenyl}-4-methyl-1,3-thiazole-5-carboxylic acid (C16H16N2O3S) - CSSB00159245669](/st/structure/200/72c1be41149071df26c6d65ae39a0226/%255B2H%255DC%2528%255B2H%255D%2529%2528%255B2H%255D%2529C%2528%255B2H%255D%2529%2528COC1%253DCC%253DC%2528C%253DC1C%2523N%2529C1%253DNC%2528C%2529%253DC%2528S1%2529C%2528O%2529%253DO%2529C%2528%255B2H%255D%2529%2528%255B2H%255D%2529%255B2H%255D.png "C16H16N2O3S")
- Zoom the structure
- CSSB00159245669
Items Overall 13 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific CN | 7 days | China To: | 98 | 1 mg | 314.60 | |
| 1st Scientific CN | 7 days | China To: | 98 | 5 mg | 732.60 | |
| 1st Scientific CN | 7 days | China To: | 98 | 10 mg | 1,161.60 | |
Description: Febuxostat-d7; CAS: 1285539-74-3 | ||||||
| 1st Scientific LLC | 7 days | United States To: | 98 | 1 mg | 314.60 | |
| 1st Scientific LLC | 7 days | United States To: | 98 | 5 mg | 732.60 | |
| 1st Scientific LLC | 7 days | United States To: | 98 | 10 mg | 1,161.60 | |
Description: Febuxostat-d7; CAS: 1285539-74-3 | ||||||
| A2B Chem | 12 days | United States To: | 98 | 1 mg | 364.55 | |
| A2B Chem | 12 days | United States To: | 98 | 5 mg | 849.85 | |
| A2B Chem | 12 days | United States To: | 98 | 10 mg | 1,348.95 | |
Description: Febuxostat-d7; CAS: 1285539-74-3 | ||||||
| BOC Sciences | 24 days | United States To: | 95 | 10 mg | 1,500.40 | |
Description: CAS: 1285539-74-3 | ||||||
| 10X CHEM | TBD | United States To: | 98 | 1 mg | 322.30 | |
| 10X CHEM | TBD | United States To: | 98 | 5 mg | 753.50 | |
| 10X CHEM | TBD | United States To: | 98 | 10 mg | 1,196.80 | |
Description: Febuxostat-d7; CAS: 1285539-74-3 | ||||||
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Substructure Analogs
![Chemical structure of 2-{3-cyano-4-[2-(²H₃)methyl(1,1,2,3,3,3-²H₆)propoxy]phenyl}-4-methyl-1,3-thiazole-5-carboxylic acid - CSSB00159254707](/st/structure/200/1b85933379c1bb8af13d9c6732bff62b/%255B2H%255DC%2528%255B2H%255D%2529%2528%255B2H%255D%2529C%2528%255B2H%255D%2529%2528C%2528%255B2H%255D%2529%2528%255B2H%255D%2529%255B2H%255D%2529C%2528%255B2H%255D%2529%2528%255B2H%255D%2529OC1%253DCC%253DC%2528C%253DC1C%2523N%2529C1%253DNC%2528C%2529%253DC%2528S1%2529C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid - CSSB00000695059](/st/structure/200/f500fe05375459288d2d061928c7e682/CC%2528C%2529COC1%253DCC%253DC%2528C%253DC1C%2523N%2529C1%253DNC%2528C%2529%253DC%2528S1%2529C%2528O%2529%253DO.png)
![Chemical structure of 2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid - CSSB00102518722](/st/structure/200/9d83553b958a7f4f89018c0d40a8179d/CC%2528CO%2529COC1%253DCC%253DC%2528C%253DC1C%2523N%2529C1%253DNC%2528C%2529%253DC%2528S1%2529C%2528O%2529%253DO.png)
![Chemical structure of 2-[4-(butan-2-yloxy)-3-cyanophenyl]-4-methyl-1,3-thiazole-5-carboxylic acid - CSSB00138411312](/st/structure/200/24b0c2936716f4582322122a77c9795a/CCC%2528C%2529OC1%253DCC%253DC%2528C%253DC1C%2523N%2529C1%253DNC%2528C%2529%253DC%2528S1%2529C%2528O%2529%253DO.png)
