4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione
TL;DR: 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione (CAS 57965-22-7) is a chemical compound with molecular formula C10H7F3O3 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione
Also Known As: 4,4,4-trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione, TOS-BB-0667, 4,4,4-Trifluoro-1-(4-hydroxy-phenyl)-butane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-hydroxyphenyl)-, J2.327.627E
| Molecular Formula | C10H7F3O3 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.0964 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03473 |
| Heavy Atoms | 16 |
| Complexity | 406.3126 |
Chemical Identifiers
| CAS Number | 57965-22-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C(F)(F)F)O |
Product Overview
4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione (CAS 57965-22-7), with molecular formula C10H7F3O3 and molecular weight 232.03 g/mol. IUPAC: 4,4,4-trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione.
Chemical Property Profile of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione
Property Insights of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione
The XLogP value of 2.0964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione. With a topological polar surface area (TPSA) of 54.37 Ų, 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione has 1 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 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione?
The CAS number of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione is 57965-22-7.
What is the molecular formula of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione?
The molecular formula of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione is C10H7F3O3.
What is the molecular weight of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione?
The molecular weight of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione is 232.03 g/mol.
Where can I buy 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione?
You can request a quote for 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-1-(4-hydroxyphenyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.