4-Benzimidazol-2-ylthio-3-nitrobenzamide
TL;DR: 4-Benzimidazol-2-ylthio-3-nitrobenzamide (CAS 6522-10-7) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrobenzamide
Also Known As: 4-benzimidazol-2-ylthio-3-nitrobenzamide, 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrobenzamide, 4-(1H-benzoimidazol-2-ylsulfanyl)-3-nitro-benzamide, 4-[(1H-1,3-Benzimidazol-2-yl)sulfanyl]-3-nitrobenzamide
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.7212 |
| Topological Polar Surface Area | 114.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 857.68024 |
Chemical Identifiers
| CAS Number | 6522-10-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] |
Product Overview
4-Benzimidazol-2-ylthio-3-nitrobenzamide (CAS 6522-10-7), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrobenzamide.
Chemical Property Profile of 4-Benzimidazol-2-ylthio-3-nitrobenzamide
Property Insights of 4-Benzimidazol-2-ylthio-3-nitrobenzamide
The XLogP value of 2.7212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzimidazol-2-ylthio-3-nitrobenzamide. The TPSA of 114.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzimidazol-2-ylthio-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-Benzimidazol-2-ylthio-3-nitrobenzamide has 2 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 4-Benzimidazol-2-ylthio-3-nitrobenzamide?
The CAS number of 4-Benzimidazol-2-ylthio-3-nitrobenzamide is 6522-10-7.
What is the molecular formula of 4-Benzimidazol-2-ylthio-3-nitrobenzamide?
The molecular formula of 4-Benzimidazol-2-ylthio-3-nitrobenzamide is C14H10N4O3S.
What is the molecular weight of 4-Benzimidazol-2-ylthio-3-nitrobenzamide?
The molecular weight of 4-Benzimidazol-2-ylthio-3-nitrobenzamide is 314.05 g/mol.
Where can I buy 4-Benzimidazol-2-ylthio-3-nitrobenzamide?
You can request a quote for 4-Benzimidazol-2-ylthio-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzimidazol-2-ylthio-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzimidazol-2-ylthio-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.