1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine
TL;DR: 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine (CAS 69558-89-0) is a chemical compound with molecular formula C12H14ClN3O3 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: 1-(4-chloro-2-nitrobenzoyl)-4-methylpiperazine, BAS 00783400, BIM-0027134.P001, (4-chloro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone, 1-{4-chloro-2-nitrobenzoyl}-4-methylpiperazine
| Molecular Formula | C12H14ClN3O3 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.07236 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 69558-89-0 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | OYEGVKNQWXGFFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine (CAS 69558-89-0), with molecular formula C12H14ClN3O3 and molecular weight 283.07 g/mol. IUPAC: (4-chloro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine
Property Insights of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine. Following Lipinski's Rule of Five, 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine 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-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine?
The CAS number of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine is 69558-89-0.
What is the molecular formula of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine?
The molecular formula of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine is C12H14ClN3O3.
What is the molecular weight of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine?
The molecular weight of 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine is 283.07 g/mol.
Where can I buy 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine?
You can request a quote for 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-2-nitrobenzoyl)-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.