2-Chloro-4'-fluoropropiophenone
TL;DR: 2-Chloro-4'-fluoropropiophenone (CAS 347-93-3) is a chemical compound with molecular formula C9H8ClFO and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(4-fluorophenyl)propan-1-one
Also Known As: 3-Chloro-4'-fluoropropiophenone, 3-chloro-1-(4-fluorophenyl)propan-1-one, 2-Chloro-4'-fluoropropiophenone, Haloperidol Impurity 37, 3-Chloro-4-Fluoropropiophenone
| Molecular Formula | C9H8ClFO |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.02477 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 347-93-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCCl)F |
| InChIKey | AAHQPLJUSLMHHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4'-fluoropropiophenone (CAS 347-93-3), with molecular formula C9H8ClFO and molecular weight 186.02 g/mol. IUPAC: 3-chloro-1-(4-fluorophenyl)propan-1-one.
Chemical Property Profile of 2-Chloro-4'-fluoropropiophenone
Property Insights of 2-Chloro-4'-fluoropropiophenone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4'-fluoropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloro-4'-fluoropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4'-fluoropropiophenone has 0 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-Chloro-4'-fluoropropiophenone?
The CAS number of 2-Chloro-4'-fluoropropiophenone is 347-93-3.
What is the molecular formula of 2-Chloro-4'-fluoropropiophenone?
The molecular formula of 2-Chloro-4'-fluoropropiophenone is C9H8ClFO.
What is the molecular weight of 2-Chloro-4'-fluoropropiophenone?
The molecular weight of 2-Chloro-4'-fluoropropiophenone is 186.02 g/mol.
Where can I buy 2-Chloro-4'-fluoropropiophenone?
You can request a quote for 2-Chloro-4'-fluoropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4'-fluoropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4'-fluoropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.