1-(4,5-Difluoro-2-methylphenyl)ethanone
TL;DR: 1-(4,5-Difluoro-2-methylphenyl)ethanone (CAS 183237-85-6) is a chemical compound with molecular formula C9H8F2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-difluoro-2-methylphenyl)ethanone
Also Known As: 1-(4,5-difluoro-2-methylphenyl)ethanone, 4',5'-Difluoro-2'-methylacetophenone, 1-(4,5-difluoro-2-methylphenyl)ethan-1-one, Ethanone, 1-(4,5-difluoro-2-methylphenyl)- (9CI), 1-(4,5-difluoro-2-methyl-phenyl)ethanone
| Molecular Formula | C9H8F2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.47582 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.05432 |
| Heavy Atoms | 12 |
| Complexity | 331.54556 |
Chemical Identifiers
| CAS Number | 183237-85-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)C)F)F |
Product Overview
1-(4,5-Difluoro-2-methylphenyl)ethanone (CAS 183237-85-6), with molecular formula C9H8F2O and molecular weight 170.05 g/mol. IUPAC: 1-(4,5-difluoro-2-methylphenyl)ethanone.
Chemical Property Profile of 1-(4,5-Difluoro-2-methylphenyl)ethanone
Property Insights of 1-(4,5-Difluoro-2-methylphenyl)ethanone
The XLogP value of 2.47582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5-Difluoro-2-methylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(4,5-Difluoro-2-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-Difluoro-2-methylphenyl)ethanone 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 1-(4,5-Difluoro-2-methylphenyl)ethanone?
The CAS number of 1-(4,5-Difluoro-2-methylphenyl)ethanone is 183237-85-6.
What is the molecular formula of 1-(4,5-Difluoro-2-methylphenyl)ethanone?
The molecular formula of 1-(4,5-Difluoro-2-methylphenyl)ethanone is C9H8F2O.
What is the molecular weight of 1-(4,5-Difluoro-2-methylphenyl)ethanone?
The molecular weight of 1-(4,5-Difluoro-2-methylphenyl)ethanone is 170.05 g/mol.
Where can I buy 1-(4,5-Difluoro-2-methylphenyl)ethanone?
You can request a quote for 1-(4,5-Difluoro-2-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Difluoro-2-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Difluoro-2-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.