2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
TL;DR: 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 333418-51-2) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, [(4-phenyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid, BAS 02749640, 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid, (4-Phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.506 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 774.7512 |
Chemical Identifiers
| CAS Number | 333418-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CN=CC=C3 |
Product Overview
2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid (CAS 333418-51-2), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
Property Insights of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
The XLogP value of 2.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid has 1 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 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The CAS number of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 333418-51-2.
What is the molecular formula of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular formula of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is C15H12N4O2S.
What is the molecular weight of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
The molecular weight of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid is 312.07 g/mol.
Where can I buy 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
You can request a quote for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.