![Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate structure](/static/products/864/864916-94-9.png)
Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate
TL;DR: Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate (CAS 864916-94-9) is a chemical compound with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate
Also Known As: ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate, ethyl 3-oxo-4-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)butanoate, F0698-0086, ethyl 3-oxo-4-(3-phenyl-1,2,4-thiadiazol-5-ylthio)butyrate
| Molecular Formula | C14H14N2O3S2 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 2.8195 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.0446 |
| Heavy Atoms | 21 |
| Complexity | 613.6915 |
Chemical Identifiers
| CAS Number | 864916-94-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=NS1)C2=CC=CC=C2 |
Product Overview
Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate (CAS 864916-94-9), with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol. IUPAC: ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate.
Chemical Property Profile of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate
Property Insights of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate
The XLogP value of 2.8195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate 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 Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate?
The CAS number of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate is 864916-94-9.
What is the molecular formula of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate?
The molecular formula of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate is C14H14N2O3S2.
What is the molecular weight of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate?
The molecular weight of Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate is 322.04 g/mol.
Where can I buy Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate?
You can request a quote for Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.