Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate
TL;DR: Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate (CAS 864918-33-2) is a chemical compound with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate, ethyl 4-{[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-3-oxobutanoate, F0698-0260, ethyl 4-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-3-oxobutanoate
| Molecular Formula | C15H16N2O3S2 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.12792 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.06024 |
| Heavy Atoms | 22 |
| Complexity | 670.3121 |
Chemical Identifiers
| CAS Number | 864918-33-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=NS1)C2=CC=CC(=C2)C |
Product Overview
Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate (CAS 864918-33-2), with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol. IUPAC: ethyl 4-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate
Property Insights of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate
The XLogP value of 3.12792 indicates that Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)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-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate?
The CAS number of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate is 864918-33-2.
What is the molecular formula of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate?
The molecular formula of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate is C15H16N2O3S2.
What is the molecular weight of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate?
The molecular weight of Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate is 336.06 g/mol.
Where can I buy Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate?
You can request a quote for Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)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-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-4-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.