![2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid structure](/static/products/5779/577999-90-7.webp)
2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
TL;DR: 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 577999-90-7) is a chemical compound with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid, 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, 2-((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C12H14N4O3S |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 1.2343 |
| Topological Polar Surface Area | 103.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.07867 |
| Heavy Atoms | 20 |
| Complexity | 597.24994 |
Chemical Identifiers
| CAS Number | 577999-90-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)O |
Product Overview
2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid (CAS 577999-90-7), with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol. IUPAC: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
Property Insights of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid
The XLogP value of 1.2343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid. The TPSA of 103.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid. Following Lipinski's Rule of Five, 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]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-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
The CAS number of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is 577999-90-7.
What is the molecular formula of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular formula of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is C12H14N4O3S.
What is the molecular weight of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
The molecular weight of 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid is 294.08 g/mol.
Where can I buy 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
You can request a quote for 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]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-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.