Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate
TL;DR: Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate (CAS 765934-60-9) is a chemical compound with molecular formula C21H21ClN4O6 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-4-nitrobenzoyl)amino]benzoate
Also Known As: METHYL 4-(4-ACETYLPIPERAZIN-1-YL)-3-(2-CHLORO-4-NITROBENZAMIDO)BENZOATE, Methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-4-nitro-benzoyl)amino]benzoate, methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-4-nitrobenzoyl)amino]benzoate, methyl 4-(4-acetylpiperazin-1-yl)-3-{[(2-chloro-4-nitrophenyl)carbonyl]amino}benzoate
| Molecular Formula | C21H21ClN4O6 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 2.9556 |
| Topological Polar Surface Area | 122.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.11496 |
| Heavy Atoms | 32 |
| Complexity | 1081.9547 |
Chemical Identifiers
| CAS Number | 765934-60-9 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate (CAS 765934-60-9), with molecular formula C21H21ClN4O6 and molecular weight 460.11 g/mol. IUPAC: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-4-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate
Property Insights of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate
The XLogP value of 2.9556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate. The TPSA of 122.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate 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-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate?
The CAS number of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate is 765934-60-9.
What is the molecular formula of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate?
The molecular formula of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate is C21H21ClN4O6.
What is the molecular weight of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate?
The molecular weight of Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate is 460.11 g/mol.
Where can I buy Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate?
You can request a quote for Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate 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-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-acetylpiperazin-1-YL)-3-(2-chloro-4-nitrobenzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.