![3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid structure](/static/products/7280/728015-14-3.webp)
3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
TL;DR: 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid (CAS 728015-14-3) is a chemical compound with molecular formula C14H10N4O2S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
Also Known As: BAS 11409563, 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid, A3844/0163247, 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid, 3-(3-Mercapto-5-pyridin-4-yl-[1,2,4]triazol-4-yl)-benzoic acid
| Molecular Formula | C14H10N4O2S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.69009 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.05246 |
| Heavy Atoms | 21 |
| Complexity | 854.6655 |
Chemical Identifiers
| CAS Number | 728015-14-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NNC2=S)C3=CC=NC=C3)C(=O)O |
Product Overview
3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid (CAS 728015-14-3), with molecular formula C14H10N4O2S and molecular weight 298.05 g/mol. IUPAC: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid.
Chemical Property Profile of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Property Insights of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
The XLogP value of 2.69009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid?
The CAS number of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid is 728015-14-3.
What is the molecular formula of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid?
The molecular formula of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid is C14H10N4O2S.
What is the molecular weight of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid?
The molecular weight of 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid is 298.05 g/mol.
Where can I buy 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid?
You can request a quote for 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]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-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.