![Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate structure](/static/products/6927/692732-85-7.webp)
Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate
TL;DR: Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate (CAS 692732-85-7) is a chemical compound with molecular formula C21H22N4O6 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl]-3-nitrobenzoate
Also Known As: 7T-0224, methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate, methyl 4-[4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl]-3-nitrobenzoate, methyl 4-{4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl}-3-nitrobenzoate, Methyl 4-[4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl]-3-nitro-benzoate
| Molecular Formula | C21H22N4O6 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 2.9381 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.15393 |
| Heavy Atoms | 31 |
| Complexity | 1013.0301 |
Chemical Identifiers
| CAS Number | 692732-85-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate (CAS 692732-85-7), with molecular formula C21H22N4O6 and molecular weight 426.15 g/mol. IUPAC: methyl 4-[4-[(4-acetylphenyl)carbamoyl]piperazin-1-yl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate
Property Insights of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate
The XLogP value of 2.9381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate has 1 hydrogen bond donor(s) and 7 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 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate?
The CAS number of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate is 692732-85-7.
What is the molecular formula of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate is C21H22N4O6.
What is the molecular weight of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate is 426.15 g/mol.
Where can I buy Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{4-[(4-acetylanilino)carbonyl]piperazino}-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.