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Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
TL;DR: Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate (CAS 7699-03-8) is a chemical compound with molecular formula C9H16O4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-methylpropanoate
Also Known As: methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate, methyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-methylpropanoate, METHYL 3-(ETHOXYCARBONYLMETHYLSULFANYL)-2-METHYL-PROPANOATE, 3-[[(ETHOXYCARBONYL)METHYL]THIO]-2-METHYLPROPANOIC ACID, METHYL ESTER
| Molecular Formula | C9H16O4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 220.07693 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 7699-03-8 |
|---|---|
| SMILES | CCOC(=O)CSCC(C)C(=O)OC |
| InChIKey | ZENGWAYQFNGIDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate (CAS 7699-03-8), with molecular formula C9H16O4S and molecular weight 220.08 g/mol. IUPAC: methyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-methylpropanoate.
Chemical Property Profile of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
Property Insights of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate. Following Lipinski's Rule of Five, Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate 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-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate?
The CAS number of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate is 7699-03-8.
What is the molecular formula of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate?
The molecular formula of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate is C9H16O4S.
What is the molecular weight of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate?
The molecular weight of Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate is 220.08 g/mol.
Where can I buy Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate?
You can request a quote for Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate 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-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.