![3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid structure](/static/products/5261/526192-60-9.webp)
3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid
TL;DR: 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid (CAS 526192-60-9) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Also Known As: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic Acid, 3-[4-ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid, 3-((5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 3-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.4556 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 569.0529 |
Chemical Identifiers
| CAS Number | 526192-60-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCCC(=O)O)CC2=CC=CC=C2 |
Product Overview
3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid (CAS 526192-60-9), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid
Property Insights of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid
The XLogP value of 2.4556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid. Following Lipinski's Rule of Five, 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]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-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid?
The CAS number of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid is 526192-60-9.
What is the molecular formula of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid?
The molecular formula of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid is C14H17N3O2S.
What is the molecular weight of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid?
The molecular weight of 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid is 291.10 g/mol.
Where can I buy 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid?
You can request a quote for 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]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-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-Ethyl-5-benzyl-1,2,4-triazol-3-ylthio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.