4'-Chloro-2',5'-difluoroacetophenone
TL;DR: 4'-Chloro-2',5'-difluoroacetophenone (CAS 655-12-9) is a chemical compound with molecular formula C8H5ClF2O and molecular weight 190.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2,5-difluorophenyl)ethanone
Also Known As: 4'-Chloro-2',5'-difluoroacetophenone, 1-(4-chloro-2,5-difluorophenyl)ethanone, 4-chloro-2,5-difluoroacetophenone, 1-(4-chloro-2,5-difluorophenyl)ethan-1-one, 2,5-difluoro-4-chloroacetophenone
| Molecular Formula | C8H5ClF2O |
|---|---|
| Molecular Weight | 190.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.9997 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 655-12-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1F)Cl)F |
| InChIKey | XLBICEUZJHYFQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chloro-2',5'-difluoroacetophenone (CAS 655-12-9), with molecular formula C8H5ClF2O and molecular weight 190.00 g/mol. IUPAC: 1-(4-chloro-2,5-difluorophenyl)ethanone.
Chemical Property Profile of 4'-Chloro-2',5'-difluoroacetophenone
Property Insights of 4'-Chloro-2',5'-difluoroacetophenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloro-2',5'-difluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Chloro-2',5'-difluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloro-2',5'-difluoroacetophenone 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 4'-Chloro-2',5'-difluoroacetophenone?
The CAS number of 4'-Chloro-2',5'-difluoroacetophenone is 655-12-9.
What is the molecular formula of 4'-Chloro-2',5'-difluoroacetophenone?
The molecular formula of 4'-Chloro-2',5'-difluoroacetophenone is C8H5ClF2O.
What is the molecular weight of 4'-Chloro-2',5'-difluoroacetophenone?
The molecular weight of 4'-Chloro-2',5'-difluoroacetophenone is 190.00 g/mol.
Where can I buy 4'-Chloro-2',5'-difluoroacetophenone?
You can request a quote for 4'-Chloro-2',5'-difluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloro-2',5'-difluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-2',5'-difluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.