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Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate
TL;DR: Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate (CAS 363583-26-0) is a chemical compound with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
Also Known As: BAS 02178231, ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate, ethyl 4-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate, ethyl 4-{[N-(3-chlorophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
| Molecular Formula | C18H19ClN2O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 2.9214 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.0703 |
| Heavy Atoms | 27 |
| Complexity | 929.0231 |
Chemical Identifiers
| CAS Number | 363583-26-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C |
Product Overview
Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate (CAS 363583-26-0), with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol. IUPAC: ethyl 4-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate
Property Insights of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate
The XLogP value of 2.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 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-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate?
The CAS number of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate is 363583-26-0.
What is the molecular formula of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate?
The molecular formula of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate is C18H19ClN2O5S.
What is the molecular weight of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate?
The molecular weight of Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate is 410.07 g/mol.
Where can I buy Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate?
You can request a quote for Ethyl 4-({[3-chloro(methylsulfonyl)anilino]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-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[3-chloro(methylsulfonyl)anilino]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.