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Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate
TL;DR: Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate (CAS 693798-24-2) is a chemical compound with molecular formula C18H17Cl2NO3S and molecular weight 397.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate, ethyl 2-(2-((2,6-dichlorobenzyl)thio)acetamido)benzoate, ethyl 2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
| Molecular Formula | C18H17Cl2NO3S |
|---|---|
| Molecular Weight | 397.03 g/mol |
| LogP | 5.042 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.0306 |
| Heavy Atoms | 25 |
| Complexity | 747.48645 |
Chemical Identifiers
| CAS Number | 693798-24-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CSCC2=C(C=CC=C2Cl)Cl |
Product Overview
Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate (CAS 693798-24-2), with molecular formula C18H17Cl2NO3S and molecular weight 397.03 g/mol. IUPAC: ethyl 2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate
Property Insights of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 5.042 indicates that Ethyl 2-({[(2,6-dichlorobenzyl)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 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate is 693798-24-2.
What is the molecular formula of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate is C18H17Cl2NO3S.
What is the molecular weight of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate is 397.03 g/mol.
Where can I buy Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Ethyl 2-({[(2,6-dichlorobenzyl)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 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.