ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate (CAS 879032-76-5) is a chemical compound with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(2-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate, ethyl 4-[2-[(2-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate, ethyl 4-({2-[(2-chlorophenyl)carbonylamino]phenyl}carbonyl)piperazinecarboxyla te, ethyl 4-[(2-{[(2-chlorophenyl)carbonyl]amino}phenyl)carbonyl]piperazine-1-carboxylate, ETHYL 4-{2-[(2-CHLOROBENZOYL)AMINO]BENZOYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C21H22ClN3O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 3.5066 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.12988 |
| Heavy Atoms | 29 |
| Complexity | 910.30414 |
Chemical Identifiers
| CAS Number | 879032-76-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3Cl |
Product Overview
ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate (CAS 879032-76-5), with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol. IUPAC: ethyl 4-[2-[(2-chlorobenzoyl)amino]benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate
The XLogP value of 3.5066 indicates that ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate 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-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate is 879032-76-5.
What is the molecular formula of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate is C21H22ClN3O4.
What is the molecular weight of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate is 415.13 g/mol.
Where can I buy ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate 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-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(2-chlorobenzamido)benzoyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.