1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine
TL;DR: 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine (CAS 681840-55-1) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
Also Known As: 1-(3-chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine, [4-(3-Chloro-4-methylphenyl)piperazin-1-yl](3-nitrophenyl)methanone, [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone, A2892/0121782, (4-(3-chloro-4-methylphenyl)piperazin-1-yl)(3-nitrophenyl)methanone
| Molecular Formula | C18H18ClN3O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 3.51902 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.10367 |
| Heavy Atoms | 25 |
| Complexity | 816.9636 |
Chemical Identifiers
| CAS Number | 681840-55-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl |
Product Overview
1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine (CAS 681840-55-1), with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol. IUPAC: [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine
Property Insights of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine
The XLogP value of 3.51902 indicates that 1-(3-Chloro-4-methylphenyl)-4-(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-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Chloro-4-methylphenyl)-4-(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-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine?
The CAS number of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine is 681840-55-1.
What is the molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine?
The molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine is C18H18ClN3O3.
What is the molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine?
The molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine is 359.10 g/mol.
Where can I buy 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine?
You can request a quote for 1-(3-Chloro-4-methylphenyl)-4-(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-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-methylphenyl)-4-(3-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.