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Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate
TL;DR: Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate (CAS 63449-37-6) is a chemical compound with molecular formula C10H18O4S and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylbutanoate
Also Known As: Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate, starbld0016607, Ethyl 4-((2-ethoxy-2-oxoethyl)thio)butanoate, ETHYL4-[ THIO]BUTANOATE, BUTTPARK 94\04-65
| Molecular Formula | C10H18O4S |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.626 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.09258 |
| Heavy Atoms | 15 |
| Complexity | 173.8614 |
Chemical Identifiers
| CAS Number | 63449-37-6 |
|---|---|
| SMILES | CCOC(=O)CCCSCC(=O)OCC |
Product Overview
Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate (CAS 63449-37-6), with molecular formula C10H18O4S and molecular weight 234.09 g/mol. IUPAC: ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylbutanoate.
Chemical Property Profile of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate
Property Insights of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate
The XLogP value of 1.626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate has 0 hydrogen bond donor(s) and 5 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-[(2-ethoxy-2-oxoethyl)thio]butanoate?
The CAS number of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate is 63449-37-6.
What is the molecular formula of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate?
The molecular formula of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate is C10H18O4S.
What is the molecular weight of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate?
The molecular weight of Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate is 234.09 g/mol.
Where can I buy Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate?
You can request a quote for Ethyl 4-[(2-ethoxy-2-oxoethyl)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 4-[(2-ethoxy-2-oxoethyl)thio]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.