![2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/3053/305336-66-7.webp)
2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 305336-66-7) is a chemical compound with molecular formula C11H12N4O3S and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, BIM-0036988.P001, 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, {[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
| Molecular Formula | C11H12N4O3S |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 0.8442 |
| Topological Polar Surface Area | 103.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.06302 |
| Heavy Atoms | 19 |
| Complexity | 582.1263 |
Chemical Identifiers
| CAS Number | 305336-66-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)O |
Product Overview
2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 305336-66-7), with molecular formula C11H12N4O3S and molecular weight 280.06 g/mol. IUPAC: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 0.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. The TPSA of 103.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[4-amino-5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 305336-66-7.
What is the molecular formula of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C11H12N4O3S.
What is the molecular weight of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 280.06 g/mol.
Where can I buy 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[4-amino-5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.