![3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid structure](/static/products/6902/690249-41-3.webp)
3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
TL;DR: 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid (CAS 690249-41-3) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Also Known As: CBKinase1_011866, CBKinase1_024266, 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid, BRD-K83493344-001-01-5, F1743-0014
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.8961 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 790.3546 |
Chemical Identifiers
| CAS Number | 690249-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CC=NC=C3 |
Product Overview
3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid (CAS 690249-41-3), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Property Insights of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
The XLogP value of 2.8961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid. Following Lipinski's Rule of Five, 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic 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 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid?
The CAS number of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid is 690249-41-3.
What is the molecular formula of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid?
The molecular formula of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid is C16H14N4O2S.
What is the molecular weight of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid?
The molecular weight of 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid is 326.08 g/mol.
Where can I buy 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid?
You can request a quote for 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.