Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate
TL;DR: Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate (CAS 792946-70-4) is a chemical compound with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate
Also Known As: ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate, BAS 12229877, ethyl 3-amino-4-(4-benzoyl-1-piperazinyl)benzoate, AP-970/43374129, ethyl3-amino-4-(4-benzoylpiperazin-1-yl)benzoate
| Molecular Formula | C20H23N3O3 |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 2.4079 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.17395 |
| Heavy Atoms | 26 |
| Complexity | 784.1434 |
Chemical Identifiers
| CAS Number | 792946-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)N |
Product Overview
Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate (CAS 792946-70-4), with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol. IUPAC: ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate.
Chemical Property Profile of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate
Property Insights of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate
The XLogP value of 2.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)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 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate?
The CAS number of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate is 792946-70-4.
What is the molecular formula of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate?
The molecular formula of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate is C20H23N3O3.
What is the molecular weight of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate?
The molecular weight of Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate is 353.17 g/mol.
Where can I buy Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate?
You can request a quote for Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4-(4-benzoylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.