Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate
TL;DR: Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate (CAS 765918-48-7) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate
Also Known As: methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate, methyl 3-(acetylamino)-4-(4-benzoylpiperazin-1-yl)benzoate, methyl 3-(acetylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate, METHYL 4-(4-BENZOYLPIPERAZIN-1-YL)-3-ACETAMIDOBENZOATE
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 2.394 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 874.47437 |
Chemical Identifiers
| CAS Number | 765918-48-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3 |
Product Overview
Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate (CAS 765918-48-7), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate
Property Insights of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate
The XLogP value of 2.394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 3-acetamido-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 Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate?
The CAS number of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate is 765918-48-7.
What is the molecular formula of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate?
The molecular formula of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate is C21H23N3O4.
What is the molecular weight of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate?
The molecular weight of Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate is 381.17 g/mol.
Where can I buy Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate?
You can request a quote for Methyl 3-acetamido-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 Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetamido-4-(4-benzoylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.