1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
TL;DR: 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole (CAS 301314-40-9) is a chemical compound with molecular formula C13H8ClN3O4S and molecular weight 336.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-5-nitrophenyl)sulfonylbenzimidazole
Also Known As: BAS 01177923, 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole, 1-(2-chloro-5-nitrophenyl)sulfonylbenzimidazole, 2-(benzimidazolylsulfonyl)-1-chloro-4-nitrobenzene, 1-({2-chloro-5-nitrophenyl}sulfonyl)-1H-benzimidazole
| Molecular Formula | C13H8ClN3O4S |
|---|---|
| Molecular Weight | 336.99 g/mol |
| LogP | 2.8349 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.9924 |
| Heavy Atoms | 22 |
| Complexity | 997.44275 |
Chemical Identifiers
| CAS Number | 301314-40-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole (CAS 301314-40-9), with molecular formula C13H8ClN3O4S and molecular weight 336.99 g/mol. IUPAC: 1-(2-chloro-5-nitrophenyl)sulfonylbenzimidazole.
Chemical Property Profile of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
Property Insights of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
The XLogP value of 2.8349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
The CAS number of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole is 301314-40-9.
What is the molecular formula of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
The molecular formula of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole is C13H8ClN3O4S.
What is the molecular weight of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
The molecular weight of 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole is 336.99 g/mol.
Where can I buy 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
You can request a quote for 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.