![Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate structure](/static/products/7130/713083-98-8.webp)
Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate (CAS 713083-98-8) is a chemical compound with molecular formula C18H17ClFNO3S and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((2-chloro-6-fluorobenzyl)thio)acetamido)benzoate, ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate, ethyl 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate
| Molecular Formula | C18H17ClFNO3S |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 4.5277 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.06018 |
| Heavy Atoms | 25 |
| Complexity | 732.23645 |
Chemical Identifiers
| CAS Number | 713083-98-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=C(C=CC=C2Cl)F |
Product Overview
Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate (CAS 713083-98-8), with molecular formula C18H17ClFNO3S and molecular weight 381.06 g/mol. IUPAC: ethyl 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 4.5277 indicates that Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate 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 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate is 713083-98-8.
What is the molecular formula of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate is C18H17ClFNO3S.
What is the molecular weight of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate is 381.06 g/mol.
Where can I buy Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(2-chloro-6-fluorobenzyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.