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Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate
TL;DR: Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate (CAS 63170-23-0) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methylsulfanylanilino)-2-oxoacetate
Also Known As: ethyl 2-[3-(methylthio)anilino]-2-oxoacetate, ethyl {[3-(methylsulfanyl)phenyl]carbamoyl}formate, ethyl 2-(3-methylsulfanylanilino)-2-oxoacetate, ethyl2-[3-(methylthio)anilino]-2-oxoacetate, ethyl 2-(3-methylsulfanylanilino)-2-oxo-acetate
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.9101 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 392.57098 |
Chemical Identifiers
| CAS Number | 63170-23-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=CC=C1)SC |
Product Overview
Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate (CAS 63170-23-0), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: ethyl 2-(3-methylsulfanylanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate
Property Insights of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate
The XLogP value of 1.9101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate has 1 hydrogen bond donor(s) and 4 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 2-[3-(methylthio)anilino]-2-oxoacetate?
The CAS number of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate is 63170-23-0.
What is the molecular formula of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate?
The molecular formula of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate is C11H13NO3S.
What is the molecular weight of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate?
The molecular weight of Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate is 239.06 g/mol.
Where can I buy Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate?
You can request a quote for Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-(methylthio)anilino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.