2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone
TL;DR: 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone (CAS 497060-53-4) is a chemical compound with molecular formula C18H17ClF2N2O and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
Also Known As: 1-(5-chloro-2-methylphenyl)-4-(2,6-difluorobenzoyl)piperazine, 2,6-DIFLUOROPHENYL 4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL KETONE, AO-990/15068127, [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone, [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
| Molecular Formula | C18H17ClF2N2O |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 3.88902 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.09976 |
| Heavy Atoms | 24 |
| Complexity | 753.35925 |
Chemical Identifiers
| CAS Number | 497060-53-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C=CC=C3F)F |
Product Overview
2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone (CAS 497060-53-4), with molecular formula C18H17ClF2N2O and molecular weight 350.10 g/mol. IUPAC: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
Chemical Property Profile of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone
Property Insights of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone
The XLogP value of 3.88902 indicates that 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl 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, 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl 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 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
The CAS number of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone is 497060-53-4.
What is the molecular formula of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
The molecular formula of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone is C18H17ClF2N2O.
What is the molecular weight of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
The molecular weight of 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone is 350.10 g/mol.
Where can I buy 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
You can request a quote for 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Difluorophenyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.