2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone
TL;DR: 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone (CAS 586995-16-6) is a chemical compound with molecular formula C16H15F3O2 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[(3E)-2-hydroxy-3-[(4-methylphenyl)methylidene]cyclohexen-1-yl]ethanone
Also Known As: AH-487/42191525, 2-(4-methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone, 2,2,2-trifluoro-1-[(3E)-2-hydroxy-3-[(4-methylphenyl)methylidene]cyclohexen-1-yl]ethanone
| Molecular Formula | C16H15F3O2 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 4.50582 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.10242 |
| Heavy Atoms | 21 |
| Complexity | 607.4044 |
Chemical Identifiers
| CAS Number | 586995-16-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/2\CCCC(=C2O)C(=O)C(F)(F)F |
Product Overview
2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone (CAS 586995-16-6), with molecular formula C16H15F3O2 and molecular weight 296.10 g/mol. IUPAC: 2,2,2-trifluoro-1-[(3E)-2-hydroxy-3-[(4-methylphenyl)methylidene]cyclohexen-1-yl]ethanone.
Chemical Property Profile of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone
Property Insights of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone
The XLogP value of 4.50582 indicates that 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone has 1 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-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone?
The CAS number of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone is 586995-16-6.
What is the molecular formula of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone?
The molecular formula of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone is C16H15F3O2.
What is the molecular weight of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone?
The molecular weight of 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone is 296.10 g/mol.
Where can I buy 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone?
You can request a quote for 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylbenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.