1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
TL;DR: 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole (CAS 15728-45-7) is a chemical compound with molecular formula C13H9ClN2O2S and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonylbenzimidazole
Also Known As: ChemDiv3_000040, 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole, BAS 00329076, 1-[4-Chlorbenzolsulfonyl]-benzimidazol, 1-(4-chlorophenyl)sulfonylbenzimidazole
| Molecular Formula | C13H9ClN2O2S |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.00732 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 15728-45-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | ILWBKMKLQSOCPN-UHFFFAOYSA-N |
Product Overview
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole (CAS 15728-45-7), with molecular formula C13H9ClN2O2S and molecular weight 292.01 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonylbenzimidazole.
Chemical Property Profile of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
Property Insights of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
The XLogP value of 3.3 indicates that 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 3 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-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole?
The CAS number of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole is 15728-45-7.
What is the molecular formula of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole?
The molecular formula of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole is C13H9ClN2O2S.
What is the molecular weight of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole?
The molecular weight of 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole is 292.01 g/mol.
Where can I buy 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole?
You can request a quote for 1-(4-chlorobenzenesulfonyl)-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-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.