4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone
TL;DR: 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone (CAS 680868-72-8) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
Also Known As: 4-(2-methylphenyl)piperazinyl 3-nitrophenyl ketone, [4-(2-methylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone, 1-(2-METHYLPHENYL)-4-(3-NITROBENZOYL)PIPERAZINE, (3-nitrophenyl)(4-(o-tolyl)piperazin-1-yl)methanone, F1732-0075
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.86562 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 767.60925 |
Chemical Identifiers
| CAS Number | 680868-72-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone (CAS 680868-72-8), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: [4-(2-methylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone
Property Insights of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone
The XLogP value of 2.86562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone. Following Lipinski's Rule of Five, 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl 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-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone?
The CAS number of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone is 680868-72-8.
What is the molecular formula of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone?
The molecular formula of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone is C18H19N3O3.
What is the molecular weight of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone?
The molecular weight of 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone is 325.14 g/mol.
Where can I buy 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone?
You can request a quote for 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylphenyl)piperazinyl 3-nitrophenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.