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Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate
TL;DR: Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate (CAS 78648-41-6) is a chemical compound with molecular formula C8H14O4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxy-2-oxoethyl)sulfanylbutanoate
Also Known As: methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate, methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]butanoate, METHYL3-[ THIO]BUTANOATE, methyl 3-(2-methoxy-2-oxoethyl)sulfanylbutanoate, methyl 3-(2-methoxy-2-oxoethylthio)butanoate
| Molecular Formula | C8H14O4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 0.8442 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.06128 |
| Heavy Atoms | 13 |
| Complexity | 180.98283 |
Chemical Identifiers
| CAS Number | 78648-41-6 |
|---|---|
| SMILES | CC(CC(=O)OC)SCC(=O)OC |
Product Overview
Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate (CAS 78648-41-6), with molecular formula C8H14O4S and molecular weight 206.06 g/mol. IUPAC: methyl 3-(2-methoxy-2-oxoethyl)sulfanylbutanoate.
Chemical Property Profile of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate
Property Insights of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate
The XLogP value of 0.8442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(2-methoxy-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 Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate?
The CAS number of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate is 78648-41-6.
What is the molecular formula of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate?
The molecular formula of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate is C8H14O4S.
What is the molecular weight of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate?
The molecular weight of Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate is 206.06 g/mol.
Where can I buy Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate?
You can request a quote for Methyl 3-[(2-methoxy-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 Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-methoxy-2-oxoethyl)thio]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.