![Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate structure](/static/products/864/864922-93-0.png)
Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate
TL;DR: Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate (CAS 864922-93-0) is a chemical compound with molecular formula C15H16N2O4S2 and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-3-oxobutanoate
Also Known As: F0698-0521, ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate, ethyl 4-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-3-oxobutanoate, ethyl 4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-3-oxobutanoate, ethyl 4-[3-(p-methoxyphenyl)-1,2,4-thiadiazol-5-ylthio]acetoacetate
| Molecular Formula | C15H16N2O4S2 |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 2.8281 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.05515 |
| Heavy Atoms | 23 |
| Complexity | 670.37134 |
Chemical Identifiers
| CAS Number | 864922-93-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=NS1)C2=CC=C(C=C2)OC |
Product Overview
Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate (CAS 864922-93-0), with molecular formula C15H16N2O4S2 and molecular weight 352.06 g/mol. IUPAC: ethyl 4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate
Property Insights of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate
The XLogP value of 2.8281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate has 0 hydrogen bond donor(s) and 8 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 Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate?
The CAS number of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate is 864922-93-0.
What is the molecular formula of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate?
The molecular formula of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate is C15H16N2O4S2.
What is the molecular weight of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate?
The molecular weight of Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate is 352.06 g/mol.
Where can I buy Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate?
You can request a quote for Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.