Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-
TL;DR: Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- (CAS 35443-88-0) is a chemical compound with molecular formula C11H6Cl2F4O and molecular weight 299.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbut-2-en-1-one
Also Known As: 4-Chloro-4,4-difluoro-3-chlorodifluoromethylcrotonophenone, CROTONOPHENONE, 4-CHLORO-4,4-DIFLUORO-3-(CHLORODIFLUOROMETHYL)-, 4-Chloro-4,4-difluoro-3-(chlorodifluoromethyl)-1-phenyl-2-buten-1-one, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-1-phenylbut-2-en-1-one, 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbut-2-en-1-one
| Molecular Formula | C11H6Cl2F4O |
|---|---|
| Molecular Weight | 299.97 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.97318 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 35443-88-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=C(C(F)(F)Cl)C(F)(F)Cl |
| InChIKey | YPRNATOVOOWBIC-UHFFFAOYSA-N |
Product Overview
Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- (CAS 35443-88-0), with molecular formula C11H6Cl2F4O and molecular weight 299.97 g/mol. IUPAC: 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbut-2-en-1-one.
Chemical Property Profile of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-
Property Insights of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-
The XLogP value of 4.6 indicates that Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- has 0 hydrogen bond donor(s) and 5 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 Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-?
The CAS number of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- is 35443-88-0.
What is the molecular formula of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-?
The molecular formula of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- is C11H6Cl2F4O.
What is the molecular weight of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-?
The molecular weight of Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- is 299.97 g/mol.
Where can I buy Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-?
You can request a quote for Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 4-chloro-4,4-difluoro-3-(chlorodifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.