Methyl 3-ethylsulfanyl-2-methylpropanoate
TL;DR: Methyl 3-ethylsulfanyl-2-methylpropanoate (CAS 18673-11-5) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethylsulfanyl-2-methylpropanoate
Also Known As: methyl 3-ethylsulfanyl-2-methylpropanoate, methyl 3-(ethylsulfanyl)-2-methylpropanoate, J2.451.920A, 2-Methyl-3-(ethylthio)propionic acid methyl ester, Propanoic acid, 3-(ethylthio)-2-methyl-,methyl ester
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 18673-11-5 |
|---|---|
| SMILES | CCSCC(C)C(=O)OC |
| InChIKey | QXHVEQSFHVKFIK-UHFFFAOYSA-N |
Product Overview
Methyl 3-ethylsulfanyl-2-methylpropanoate (CAS 18673-11-5), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: methyl 3-ethylsulfanyl-2-methylpropanoate.
Chemical Property Profile of Methyl 3-ethylsulfanyl-2-methylpropanoate
Property Insights of Methyl 3-ethylsulfanyl-2-methylpropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-ethylsulfanyl-2-methylpropanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 3-ethylsulfanyl-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-ethylsulfanyl-2-methylpropanoate has 0 hydrogen bond donor(s) and 3 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-ethylsulfanyl-2-methylpropanoate?
The CAS number of Methyl 3-ethylsulfanyl-2-methylpropanoate is 18673-11-5.
What is the molecular formula of Methyl 3-ethylsulfanyl-2-methylpropanoate?
The molecular formula of Methyl 3-ethylsulfanyl-2-methylpropanoate is C7H14O2S.
What is the molecular weight of Methyl 3-ethylsulfanyl-2-methylpropanoate?
The molecular weight of Methyl 3-ethylsulfanyl-2-methylpropanoate is 162.07 g/mol.
Where can I buy Methyl 3-ethylsulfanyl-2-methylpropanoate?
You can request a quote for Methyl 3-ethylsulfanyl-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-ethylsulfanyl-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-ethylsulfanyl-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.