2',4'-Difluoropropiophenone
TL;DR: 2',4'-Difluoropropiophenone (CAS 91133-68-5) 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-(2,4-difluorophenyl)propan-1-one
Also Known As: 2',4'-Difluoropropiophenone, 1-(2,4-difluorophenyl)propan-1-one, 2,4-Difluoropropiophenone, 2,4-Defluoropropiophenone, 2,5-Difluoropropiophenone
| Molecular Formula | C9H8F2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05432 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 91133-68-5 |
|---|---|
| SMILES | CCC(=O)C1=C(C=C(C=C1)F)F |
| InChIKey | UZWOADNMVRRYDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',4'-Difluoropropiophenone (CAS 91133-68-5), with molecular formula C9H8F2O and molecular weight 170.05 g/mol. IUPAC: 1-(2,4-difluorophenyl)propan-1-one.
Chemical Property Profile of 2',4'-Difluoropropiophenone
Property Insights of 2',4'-Difluoropropiophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4'-Difluoropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2',4'-Difluoropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',4'-Difluoropropiophenone 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',4'-Difluoropropiophenone?
The CAS number of 2',4'-Difluoropropiophenone is 91133-68-5.
What is the molecular formula of 2',4'-Difluoropropiophenone?
The molecular formula of 2',4'-Difluoropropiophenone is C9H8F2O.
What is the molecular weight of 2',4'-Difluoropropiophenone?
The molecular weight of 2',4'-Difluoropropiophenone is 170.05 g/mol.
Where can I buy 2',4'-Difluoropropiophenone?
You can request a quote for 2',4'-Difluoropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',4'-Difluoropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',4'-Difluoropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.