4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one
TL;DR: 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one (CAS 799776-81-1) is a chemical compound with molecular formula C13H12F2O and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-difluorophenyl)-2-methylcyclohex-2-en-1-one
Also Known As: 4-(2,4-Difluorophenyl)-2-methyl-2-cyclohexen-1-one, 4-(2,4-difluorophenyl)-2-methylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 4-(2,4-difluorophenyl)-2-methyl- (9CI), 2',4'-difluoro-5-methyl-2,3-dihydro-[1,1'-biphenyl]-4(1H)-one, 2-CYCLOHEXEN-1-ONE, 4-(2,4-DIFLUOROPHENYL)-2-METHYL-
| Molecular Formula | C13H12F2O |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 3.3576 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.08562 |
| Heavy Atoms | 16 |
| Complexity | 463.00043 |
Chemical Identifiers
| CAS Number | 799776-81-1 |
|---|---|
| SMILES | CC1=CC(CCC1=O)C2=C(C=C(C=C2)F)F |
Product Overview
4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one (CAS 799776-81-1), with molecular formula C13H12F2O and molecular weight 222.09 g/mol. IUPAC: 4-(2,4-difluorophenyl)-2-methylcyclohex-2-en-1-one.
Chemical Property Profile of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one
Property Insights of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one
The XLogP value of 3.3576 indicates that 4-(2,4-Difluorophenyl)-2-methylcyclohex-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 17.07 Ų, 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one has 0 hydrogen bond donor(s) and 1 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-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one?
The CAS number of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one is 799776-81-1.
What is the molecular formula of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one?
The molecular formula of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one is C13H12F2O.
What is the molecular weight of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one?
The molecular weight of 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one is 222.09 g/mol.
Where can I buy 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one?
You can request a quote for 4-(2,4-Difluorophenyl)-2-methylcyclohex-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 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Difluorophenyl)-2-methylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.