![2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole structure](/static/products/431/43154-50-3.png)
2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
TL;DR: 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole (CAS 43154-50-3) 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.
2-methyl-1-(4-methylphenyl)sulfonyl-5-nitrobenzimidazole
Also Known As: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitrobenzimidazole, 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-benzoimidazole, 2-methyl-5-nitro-1-(toluene-4-sulfonyl)-1h-benzoimidazole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
| 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 | 1020.80664 |
Chemical Identifiers
| CAS Number | 43154-50-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C |
Product Overview
2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole (CAS 43154-50-3), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 2-methyl-1-(4-methylphenyl)sulfonyl-5-nitrobenzimidazole.
Chemical Property Profile of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
Property Insights of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole
The XLogP value of 2.79834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-methyl-1-[(4-methylphenyl)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 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
The CAS number of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole is 43154-50-3.
What is the molecular formula of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
The molecular formula of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole is C15H13N3O4S.
What is the molecular weight of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
The molecular weight of 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole is 331.06 g/mol.
Where can I buy 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
You can request a quote for 2-methyl-1-[(4-methylphenyl)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 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.