3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid
TL;DR: 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid (CAS 483300-44-3) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 3-(4-Phenyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid, 3-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid, 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoicacid, 3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]propanoic acid
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.80952 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 829.23004 |
Chemical Identifiers
| CAS Number | 483300-44-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)O |
Product Overview
3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid (CAS 483300-44-3), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 3-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid
Property Insights of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid
The XLogP value of 3.80952 indicates that 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid has 1 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-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The CAS number of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is 483300-44-3.
What is the molecular formula of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The molecular formula of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is C18H17N3O2S.
What is the molecular weight of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The molecular weight of 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid is 339.10 g/mol.
Where can I buy 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
You can request a quote for 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)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-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.