![2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate structure](/static/products/592/592549-38-7.png)
2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate
TL;DR: 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate (CAS 592549-38-7) is a chemical compound with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-chlorobenzoate
Also Known As: 2-[3-(methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate, AN-698/42111125, [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-chlorobenzoate, 2-((3-(methylthio)phenyl)amino)-2-oxoethyl 2-chlorobenzoate, 2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl 2-chlorobenzoate
| Molecular Formula | C16H14ClNO3S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 3.8574 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0383 |
| Heavy Atoms | 22 |
| Complexity | 690.59607 |
Chemical Identifiers
| CAS Number | 592549-38-7 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2Cl |
Product Overview
2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate (CAS 592549-38-7), with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol. IUPAC: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-chlorobenzoate.
Chemical Property Profile of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate
Property Insights of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate
The XLogP value of 3.8574 indicates that 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate 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 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate?
The CAS number of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate is 592549-38-7.
What is the molecular formula of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate?
The molecular formula of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate is C16H14ClNO3S.
What is the molecular weight of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate?
The molecular weight of 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate is 335.04 g/mol.
Where can I buy 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate?
You can request a quote for 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Methylsulfanyl)anilino]-2-oxoethyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.