(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
TL;DR: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (CAS 41463-86-9) is a chemical compound with molecular formula C10H7F3O2 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
Also Known As: Benzoyltrifluoroacetone, (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one, 3-Buten-2-one, 1,1,1-trifluoro-4-hydroxy-4-phenyl-, (3Z)-, 4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one, J1.040.968C
| Molecular Formula | C10H7F3O2 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.7169 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03981 |
| Heavy Atoms | 15 |
| Complexity | 379.40402 |
Chemical Identifiers
| CAS Number | 41463-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/C(=O)C(F)(F)F)/O |
Product Overview
(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (CAS 41463-86-9), with molecular formula C10H7F3O2 and molecular weight 216.04 g/mol. IUPAC: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one.
Chemical Property Profile of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
Property Insights of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
The XLogP value of 2.7169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one has 1 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 (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The CAS number of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is 41463-86-9.
What is the molecular formula of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The molecular formula of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is C10H7F3O2.
What is the molecular weight of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The molecular weight of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is 216.04 g/mol.
Where can I buy (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
You can request a quote for (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.