![3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid structure](/static/products/7937/793727-84-1.webp)
3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
TL;DR: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid (CAS 793727-84-1) is a chemical compound with molecular formula C15H18ClN3O2S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid
Also Known As: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid, 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid, 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic Acid, 3-(4-Butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid, 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]propanoic acid
| Molecular Formula | C15H18ClN3O2S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 4.00929 |
| Topological Polar Surface Area | 60.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.0808 |
| Heavy Atoms | 22 |
| Complexity | 706.56793 |
Chemical Identifiers
| CAS Number | 793727-84-1 |
|---|---|
| SMILES | CCCCN1C(=NN(C1=S)CCC(=O)O)C2=CC=C(C=C2)Cl |
Product Overview
3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid (CAS 793727-84-1), with molecular formula C15H18ClN3O2S and molecular weight 339.08 g/mol. IUPAC: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid.
Chemical Property Profile of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
Property Insights of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
The XLogP value of 4.00929 indicates that 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid has 1 hydrogen bond donor(s) and 3 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-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
The CAS number of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is 793727-84-1.
What is the molecular formula of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
The molecular formula of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is C15H18ClN3O2S.
What is the molecular weight of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
The molecular weight of 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is 339.08 g/mol.
Where can I buy 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
You can request a quote for 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]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-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.