![2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester structure](/static/products/3299/32991-72-3.webp)
2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester
TL;DR: 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester (CAS 32991-72-3) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetate
Also Known As: ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetate, 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester, ethyl {[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio}acetate, ethyl 2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)acetate, ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanoate
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.8689 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 569.2502 |
Chemical Identifiers
| CAS Number | 32991-72-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NS1)C2=CC=C(C=C2)OC |
Product Overview
2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester (CAS 32991-72-3), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetate.
Chemical Property Profile of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester
Property Insights of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester
The XLogP value of 2.8689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester. Following Lipinski's Rule of Five, 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester has 0 hydrogen bond donor(s) and 7 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-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester?
The CAS number of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester is 32991-72-3.
What is the molecular formula of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester?
The molecular formula of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester is C13H14N2O3S2.
What is the molecular weight of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester?
The molecular weight of 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester is 310.04 g/mol.
Where can I buy 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester?
You can request a quote for 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester 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-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.