(E)-beta-Chloro-4'-fluoroacrylophenone
TL;DR: (E)-beta-Chloro-4'-fluoroacrylophenone (CAS 25871-99-2) is a chemical compound with molecular formula C9H6ClFO and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(4-fluorophenyl)prop-2-en-1-one
Also Known As: (E)-beta-Chloro-4'-fluoroacrylophenone
| Molecular Formula | C9H6ClFO |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.00912 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 25871-99-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CCl)F |
| InChIKey | HWXNHESDWWDHHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-beta-Chloro-4'-fluoroacrylophenone (CAS 25871-99-2), with molecular formula C9H6ClFO and molecular weight 184.01 g/mol. IUPAC: 3-chloro-1-(4-fluorophenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-beta-Chloro-4'-fluoroacrylophenone
Property Insights of (E)-beta-Chloro-4'-fluoroacrylophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-beta-Chloro-4'-fluoroacrylophenone. With a topological polar surface area (TPSA) of 17.1 Ų, (E)-beta-Chloro-4'-fluoroacrylophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-beta-Chloro-4'-fluoroacrylophenone 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 (E)-beta-Chloro-4'-fluoroacrylophenone?
The CAS number of (E)-beta-Chloro-4'-fluoroacrylophenone is 25871-99-2.
What is the molecular formula of (E)-beta-Chloro-4'-fluoroacrylophenone?
The molecular formula of (E)-beta-Chloro-4'-fluoroacrylophenone is C9H6ClFO.
What is the molecular weight of (E)-beta-Chloro-4'-fluoroacrylophenone?
The molecular weight of (E)-beta-Chloro-4'-fluoroacrylophenone is 184.01 g/mol.
Where can I buy (E)-beta-Chloro-4'-fluoroacrylophenone?
You can request a quote for (E)-beta-Chloro-4'-fluoroacrylophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-beta-Chloro-4'-fluoroacrylophenone?
Yes, KEHONG BIO provides custom synthesis services for (E)-beta-Chloro-4'-fluoroacrylophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.