![1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole structure](/static/products/328/328090-00-2.png)
1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
TL;DR: 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole (CAS 328090-00-2) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonyl-5-nitrobenzimidazole
Also Known As: 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole, 1-(3,4-dimethylphenyl)sulfonyl-5-nitrobenzimidazole, 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitrobenzimidazole, 1-(3,4-Dimethylbenzene-1-sulfonyl)-5-nitro-1H-1,3-benzimidazole, 1-(3,4-DIMETHYLBENZENESULFONYL)-5-NITRO-1,3-BENZODIAZOLE
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.79834 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 1038.0566 |
Chemical Identifiers
| CAS Number | 328090-00-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2C=NC3=C2C=CC(=C3)[N+](=O)[O-])C |
Product Overview
1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole (CAS 328090-00-2), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonyl-5-nitrobenzimidazole.
Chemical Property Profile of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
Property Insights of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
The XLogP value of 2.79834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole 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-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
The CAS number of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole is 328090-00-2.
What is the molecular formula of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
The molecular formula of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole is C15H13N3O4S.
What is the molecular weight of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
The molecular weight of 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole is 331.06 g/mol.
Where can I buy 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
You can request a quote for 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,4-dimethylphenyl)sulfonyl]-5-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.