![2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid structure](/static/products/3374/337487-57-7.webp)
2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
TL;DR: 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 337487-57-7) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-[4-amino-5-benzyl-1,2,4-triazol-3-ylthio]acetic acid, (4-Amino-5-benzyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid, [(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 337487-57-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)O |
| InChIKey | YQXYEHNOSLJKMM-UHFFFAOYSA-N |
Product Overview
2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid (CAS 337487-57-7), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Property Insights of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid has 2 hydrogen bond donor(s) and 6 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 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The CAS number of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 337487-57-7.
What is the molecular formula of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid is C11H12N4O2S.
What is the molecular weight of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid is 264.07 g/mol.
Where can I buy 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(4-amino-5-benzyl-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 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.