![{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/831/831184-02-2.png)
{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 831184-02-2) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-((4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-{[4-ETHYL-5-(2-HYDROXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID, 2-[[(5Z)-4-ethyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-[[4-ethyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic Acid
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.8473 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 597.6556 |
Chemical Identifiers
| CAS Number | 831184-02-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2O |
Product Overview
{[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 831184-02-2), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 1.8473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid has 2 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 {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 831184-02-2.
What is the molecular formula of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C12H13N3O3S.
What is the molecular weight of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 279.07 g/mol.
Where can I buy {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for {[4-ethyl-5-(2-hydroxyphenyl)-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 {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.