4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid
TL;DR: 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid (CAS 101140-49-2) 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.
4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
Also Known As: 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid, 4-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid, 4-(3-mercapto-5-(pyridin-4-yl)-4H-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 | 837.4155 |
Chemical Identifiers
| CAS Number | 101140-49-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid (CAS 101140-49-2), with molecular formula C14H10N4O2S and molecular weight 298.05 g/mol. IUPAC: 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid.
Chemical Property Profile of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid
Property Insights of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid
The XLogP value of 2.69009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-pyridin-4-yl-5-sulfanylidene-1H-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 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(3-pyridin-4-yl-5-sulfanylidene-1H-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 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid?
The CAS number of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid is 101140-49-2.
What is the molecular formula of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid?
The molecular formula of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid is C14H10N4O2S.
What is the molecular weight of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid?
The molecular weight of 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid is 298.05 g/mol.
Where can I buy 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid?
You can request a quote for 4-(3-pyridin-4-yl-5-sulfanylidene-1H-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 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.