4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone
TL;DR: 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone (CAS 21057-35-2) 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-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
Also Known As: 1-(4-chloro-3-nitro-benzoyl)-4-methyl-piperazine, 4-chloro-3-nitrophenyl 4-methylpiperazinyl ketone, A0781/0036531, 1-(4-CHLORO-3-NITROBENZOYL)-4-METHYLPIPERAZINE, (4-chloro-3-nitrophenyl)(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C12H14ClN3O3 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 1.7 |
| 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 | 21057-35-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | WIHBBMZVICMMFL-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone (CAS 21057-35-2), with molecular formula C12H14ClN3O3 and molecular weight 283.07 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone
Property Insights of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone. Following Lipinski's Rule of Five, 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone 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 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone?
The CAS number of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone is 21057-35-2.
What is the molecular formula of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone?
The molecular formula of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone is C12H14ClN3O3.
What is the molecular weight of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone?
The molecular weight of 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone is 283.07 g/mol.
Where can I buy 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone?
You can request a quote for 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitrophenyl 4-methylpiperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.