![Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate structure](/static/products/833/833441-80-8.png)
Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate
TL;DR: Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate (CAS 833441-80-8) is a chemical compound with molecular formula C20H22ClN3O5S and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-chloro-3-(phenylsulfamoyl)benzoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate, ethyl 4-[4-chloro-3-(phenylsulfamoyl)benzoyl]piperazine-1-carboxylate, ethyl 4-(4-chloro-3-(N-phenylsulfamoyl)benzoyl)piperazine-1-carboxylate, 4-[[4-chloro-3-(phenylsulfamoyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester, 4-[4-chloro-3-(phenylsulfamoyl)benzoyl]piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C20H22ClN3O5S |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 3.0551 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.09686 |
| Heavy Atoms | 30 |
| Complexity | 1021.9924 |
Chemical Identifiers
| CAS Number | 833441-80-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3 |
Product Overview
Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate (CAS 833441-80-8), with molecular formula C20H22ClN3O5S and molecular weight 451.10 g/mol. IUPAC: ethyl 4-[4-chloro-3-(phenylsulfamoyl)benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate
Property Insights of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate
The XLogP value of 3.0551 indicates that Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate 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-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate?
The CAS number of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate is 833441-80-8.
What is the molecular formula of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate?
The molecular formula of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate is C20H22ClN3O5S.
What is the molecular weight of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate?
The molecular weight of Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate is 451.10 g/mol.
Where can I buy Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate?
You can request a quote for Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate 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-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(anilinosulfonyl)-4-chlorobenzoyl]-1-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.