2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one
TL;DR: 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one (CAS 946386-01-2) is a chemical compound with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one
Also Known As: 2-chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one, 2-chloro-5,5-dimethyl-3-(4-phenylpiperazinyl)cyclohex-2-en-1-one, 2-chloro-5,5-dimethyl-3-(4-phenylpiperazino)-2-cyclohexen-1-one, C18H23ClN2O
| Molecular Formula | C18H23ClN2O |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 3.6481 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.1499 |
| Heavy Atoms | 22 |
| Complexity | 586.36456 |
Chemical Identifiers
| CAS Number | 946386-01-2 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)Cl)N2CCN(CC2)C3=CC=CC=C3)C |
Product Overview
2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one (CAS 946386-01-2), with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol. IUPAC: 2-chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one
Property Insights of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one
The XLogP value of 3.6481 indicates that 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one 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-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one has 0 hydrogen bond donor(s) and 3 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-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one?
The CAS number of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one is 946386-01-2.
What is the molecular formula of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one?
The molecular formula of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one is C18H23ClN2O.
What is the molecular weight of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one?
The molecular weight of 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one is 318.15 g/mol.
Where can I buy 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one?
You can request a quote for 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5,5-dimethyl-3-(4-phenylpiperazin-1-yl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.