![2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid structure](/static/products/6945/6945-28-4.webp)
2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid
TL;DR: 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid (CAS 6945-28-4) is a chemical compound with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitro-2-pyridinyl)sulfanyl]benzoic acid
Also Known As: 2-(5-nitropyridin-2-yl)sulfanylbenzoic acid, 2-[(5-nitropyridin-2-yl)sulfanyl]benzoic acid
| Molecular Formula | C12H8N2O4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.02048 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 6945-28-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=NC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SUSSSASTTWVZSC-UHFFFAOYSA-N |
Product Overview
2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid (CAS 6945-28-4), with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol. IUPAC: 2-[(5-nitro-2-pyridinyl)sulfanyl]benzoic acid.
Chemical Property Profile of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid
Property Insights of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid has 1 hydrogen bond donor(s) and 6 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-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid?
The CAS number of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid is 6945-28-4.
What is the molecular formula of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid?
The molecular formula of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid is C12H8N2O4S.
What is the molecular weight of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid?
The molecular weight of 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid is 276.02 g/mol.
Where can I buy 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid?
You can request a quote for 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Nitropyridin-2-yl)sulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.