4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone
TL;DR: 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone (CAS 694496-42-9) is a chemical compound with molecular formula C18H18Cl2N2O and molecular weight 348.08 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-chlorophenyl)methanone
Also Known As: 4-(3-chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone, [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
| Molecular Formula | C18H18Cl2N2O |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 4.26422 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.07962 |
| Heavy Atoms | 23 |
| Complexity | 724.71155 |
Chemical Identifiers
| CAS Number | 694496-42-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)Cl |
Product Overview
4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone (CAS 694496-42-9), with molecular formula C18H18Cl2N2O and molecular weight 348.08 g/mol. IUPAC: [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
Chemical Property Profile of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone
Property Insights of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone
The XLogP value of 4.26422 indicates that 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone has 0 hydrogen bond donor(s) and 2 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-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone?
The CAS number of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone is 694496-42-9.
What is the molecular formula of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone?
The molecular formula of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone is C18H18Cl2N2O.
What is the molecular weight of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone?
The molecular weight of 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone is 348.08 g/mol.
Where can I buy 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone?
You can request a quote for 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-4-methylphenyl)piperazinyl 3-chlorophenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.