1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
TL;DR: 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one (CAS 331238-93-8) is a chemical compound with molecular formula C10H6ClF3O2 and molecular weight 250.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
Also Known As: BAS 00341653, 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one, 4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
| Molecular Formula | C10H6ClF3O2 |
|---|---|
| Molecular Weight | 250.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.00084 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 331238-93-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC(=O)C(F)(F)F)O)Cl |
| InChIKey | RESLPNKXHQNERF-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one (CAS 331238-93-8), with molecular formula C10H6ClF3O2 and molecular weight 250.00 g/mol. IUPAC: 4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
Property Insights of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one
The XLogP value of 3.8 indicates that 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one has 1 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 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
The CAS number of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one is 331238-93-8.
What is the molecular formula of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
The molecular formula of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one is C10H6ClF3O2.
What is the molecular weight of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
The molecular weight of 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one is 250.00 g/mol.
Where can I buy 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
You can request a quote for 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxybut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.