2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole
TL;DR: 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole (CAS 1038-62-6) is a chemical compound with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(4-nitrophenyl)sulfonylbenzimidazole
Also Known As: BAS 02065984, 2-methyl-1-(4-nitrophenyl)sulfonylbenzimidazole, 2-methyl-1-(4-nitrobenzenesulfonyl)-1H-1,3-benzodiazole, 2-Methyl-1-(4-nitro-benzenesulfonyl)-1H-benzoimidazole
| Molecular Formula | C14H11N3O4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.48992 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04703 |
| Heavy Atoms | 22 |
| Complexity | 974.99554 |
Chemical Identifiers
| CAS Number | 1038-62-6 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole (CAS 1038-62-6), with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol. IUPAC: 2-methyl-1-(4-nitrophenyl)sulfonylbenzimidazole.
Chemical Property Profile of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole
Property Insights of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole
The XLogP value of 2.48992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole. Following Lipinski's Rule of Five, 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole 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 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
The CAS number of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole is 1038-62-6.
What is the molecular formula of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
The molecular formula of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole is C14H11N3O4S.
What is the molecular weight of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
The molecular weight of 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole is 317.05 g/mol.
Where can I buy 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
You can request a quote for 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-(4-nitrophenyl)sulfonylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.