![3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid structure](/static/products/3156/315677-58-8.webp)
3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
TL;DR: 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid (CAS 315677-58-8) is a chemical compound with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
Also Known As: AB00647463-02, 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid, 3-Nitro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]benzoic acid, 3-nitro-4-(1,7,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-ylsulfanyl)benzoic Acid
| Molecular Formula | C13H8N4O4S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.4869 |
| Topological Polar Surface Area | 110.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0266 |
| Heavy Atoms | 22 |
| Complexity | 892.6324 |
Chemical Identifiers
| CAS Number | 315677-58-8 |
|---|---|
| SMILES | C1=CC2=NN=C(N2C=C1)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid (CAS 315677-58-8), with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol. IUPAC: 3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid.
Chemical Property Profile of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
Property Insights of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
The XLogP value of 2.4869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid. The TPSA of 110.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)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 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid?
The CAS number of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid is 315677-58-8.
What is the molecular formula of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid?
The molecular formula of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid is C13H8N4O4S.
What is the molecular weight of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid?
The molecular weight of 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid is 316.03 g/mol.
Where can I buy 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid?
You can request a quote for 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.