1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine
TL;DR: 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine (CAS 333756-36-8) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
Also Known As: BAS 03049965, 1-(3,5-dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine, AT-057/43316167, [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone, (3,5-Dimethoxy-phenyl)-[4-(4-nitro-benzoyl)-piperazin-1-yl]-methanone
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 2.2102 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 898.06384 |
Chemical Identifiers
| CAS Number | 333756-36-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC |
Product Overview
1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine (CAS 333756-36-8), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine
Property Insights of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine
The XLogP value of 2.2102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine has 0 hydrogen bond donor(s) and 6 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 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine?
The CAS number of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine is 333756-36-8.
What is the molecular formula of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine?
The molecular formula of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine is C20H21N3O6.
What is the molecular weight of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine?
The molecular weight of 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine is 399.14 g/mol.
Where can I buy 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine?
You can request a quote for 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethoxybenzoyl)-4-(4-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.