1-methanesulfonyl-1H-1,3-benzodiazole
TL;DR: 1-methanesulfonyl-1H-1,3-benzodiazole (CAS 4425-15-4) is a chemical compound with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylbenzimidazole
Also Known As: 1-(methylsulfonyl)-1H-benzimidazole, 1-methanesulfonyl-1H-1,3-benzodiazole, 1-methylsulfonylbenzimidazole, 1-(methylsulfonyl)-1H-benzo[d]imidazole, ChemDiv3_014660
| Molecular Formula | C8H8N2O2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.03065 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 4425-15-4 |
|---|---|
| SMILES | CS(=O)(=O)N1C=NC2=CC=CC=C21 |
| InChIKey | XWGLWTLUQQRMOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methanesulfonyl-1H-1,3-benzodiazole (CAS 4425-15-4), with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol. IUPAC: 1-methylsulfonylbenzimidazole.
Chemical Property Profile of 1-methanesulfonyl-1H-1,3-benzodiazole
Property Insights of 1-methanesulfonyl-1H-1,3-benzodiazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methanesulfonyl-1H-1,3-benzodiazole. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methanesulfonyl-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 1-methanesulfonyl-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-methanesulfonyl-1H-1,3-benzodiazole?
The CAS number of 1-methanesulfonyl-1H-1,3-benzodiazole is 4425-15-4.
What is the molecular formula of 1-methanesulfonyl-1H-1,3-benzodiazole?
The molecular formula of 1-methanesulfonyl-1H-1,3-benzodiazole is C8H8N2O2S.
What is the molecular weight of 1-methanesulfonyl-1H-1,3-benzodiazole?
The molecular weight of 1-methanesulfonyl-1H-1,3-benzodiazole is 196.03 g/mol.
Where can I buy 1-methanesulfonyl-1H-1,3-benzodiazole?
You can request a quote for 1-methanesulfonyl-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-methanesulfonyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methanesulfonyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.