![[(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid structure](/static/products/5866/5866-04-6.webp)
[(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
TL;DR: [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 5866-04-6) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: [(5-benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid, BAS 00782465, [(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]acetic acid, 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-[4-ethyl-5-benzyl-1,2,4-triazol-3-ylthio]acetic acid
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 5866-04-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2 |
| InChIKey | SOFFAYFOYGHQBD-UHFFFAOYSA-N |
Product Overview
[(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 5866-04-6), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Property Insights of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]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-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The CAS number of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 5866-04-6.
What is the molecular formula of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular formula of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid is C13H15N3O2S.
What is the molecular weight of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular weight of [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 277.09 g/mol.
Where can I buy [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
You can request a quote for [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]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-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5-Benzyl-4-ethyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.