1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine
TL;DR: 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine (CAS 496015-74-8) 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.
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
Also Known As: 1-(3,4-dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine, (4-(3,4-dimethylphenyl)piperazin-1-yl)(2-methyl-3-nitrophenyl)methanone, 4-(3,4-dimethylphenyl)piperazinyl 2-methyl-3-nitrophenyl ketone, [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone, Cambridge id 7282215
| Molecular Formula | C20H23N3O3 |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 3.48246 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.17395 |
| Heavy Atoms | 26 |
| Complexity | 855.37506 |
Chemical Identifiers
| CAS Number | 496015-74-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C |
Product Overview
1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine (CAS 496015-74-8), with molecular formula C20H23N3O3 and molecular weight 353.17 g/mol. IUPAC: [4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine
Property Insights of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine
The XLogP value of 3.48246 indicates that 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine has 0 hydrogen bond donor(s) and 4 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-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine?
The CAS number of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine is 496015-74-8.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine?
The molecular formula of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine is C20H23N3O3.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine?
The molecular weight of 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine is 353.17 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine?
You can request a quote for 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-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-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-4-(2-methyl-3-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.