3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid
TL;DR: 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid (CAS 296279-56-6) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoic acid
Also Known As: Maybridge4_003513, CBKinase1_000075, CBKinase1_012475, BAS 00102008, 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 296279-56-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=CC=C3)CCC(=O)O |
| InChIKey | IVSMAMHRDUGOAP-UHFFFAOYSA-N |
Product Overview
3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid (CAS 296279-56-6), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 3-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid
Property Insights of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic 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 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid?
The CAS number of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid is 296279-56-6.
What is the molecular formula of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid?
The molecular formula of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid is C17H16N4O2S.
What is the molecular weight of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid?
The molecular weight of 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid is 340.10 g/mol.
Where can I buy 3-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid?
You can request a quote for 3-(3-anilino-4-phenyl-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-(3-anilino-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-anilino-4-phenyl-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.