![(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid structure](/static/products/5692/56929-53-4.webp)
(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
TL;DR: (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 56929-53-4) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: BAS 00668821, [(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, 2-[4-phenyl-5-benzyl-1,2,4-triazol-3-ylthio]acetic acid, [(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 56929-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O |
| InChIKey | BJDMEMNVJVOBKL-UHFFFAOYSA-N |
Product Overview
(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 56929-53-4), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
Property Insights of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
The XLogP value of 3.5 indicates that (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-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 (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The CAS number of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 56929-53-4.
What is the molecular formula of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular formula of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is C17H15N3O2S.
What is the molecular weight of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
The molecular weight of (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid is 325.09 g/mol.
Where can I buy (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
You can request a quote for (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.