![3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/1024/1024163-41-4.webp)
3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one (CAS 1024163-41-4) is a chemical compound with molecular formula C18H21ClF3N3O and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one, 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5,5-dimethyl-2-cyclohexen-1-one, 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one, 3-{4-3-Chloro-5-(trifluoromethyl)-2-pyridinylpiperazino}-5,5-dimethyl-2-cyclohexen-1-one, 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
| Molecular Formula | C18H21ClF3N3O |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 4.1488 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.13254 |
| Heavy Atoms | 26 |
| Complexity | 737.68713 |
Chemical Identifiers
| CAS Number | 1024163-41-4 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C |
Product Overview
3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one (CAS 1024163-41-4), with molecular formula C18H21ClF3N3O and molecular weight 387.13 g/mol. IUPAC: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 4.1488 indicates that 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-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 36.44 Ų, 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one 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 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one is 1024163-41-4.
What is the molecular formula of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one is C18H21ClF3N3O.
What is the molecular weight of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one is 387.13 g/mol.
Where can I buy 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-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 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.