![2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid structure](/static/products/847/847783-65-7.png)
2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
TL;DR: 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid (CAS 847783-65-7) 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-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid
Also Known As: 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid, [3-(4-ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]acetic acid, 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic Acid, [3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid, 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]aceticacid
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.09099 |
| Topological Polar Surface Area | 80.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 630.4143 |
Chemical Identifiers
| CAS Number | 847783-65-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)O |
Product Overview
2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid (CAS 847783-65-7), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid.
Chemical Property Profile of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
Property Insights of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid
The XLogP value of 2.09099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid. The TPSA of 80.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid. Following Lipinski's Rule of Five, 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid has 2 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 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
The CAS number of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid is 847783-65-7.
What is the molecular formula of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
The molecular formula of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid is C12H13N3O3S.
What is the molecular weight of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
The molecular weight of 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid is 279.07 g/mol.
Where can I buy 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
You can request a quote for 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]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-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.