1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione
TL;DR: 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione (CAS 581-83-9) is a chemical compound with molecular formula C16H11F3O2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(4-phenylphenyl)butane-1,3-dione
Also Known As: 1-(4-Biphenylyl)-4,4,4-trifluoro-1,3-butanedione, 1-([1,1'-Biphenyl]-4-yl)-4,4,4-trifluorobutane-1,3-dione, p-phenylbenzoyltrifluoroacetone, 4,4,4-trifluoro-1-(4-phenylphenyl)butane-1,3-dione, 1-(4-Phenylbenzoyl)-3,3,3-trifluoroacetone
| Molecular Formula | C16H11F3O2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0711 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 581-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(=O)C(F)(F)F |
| InChIKey | ZLQXJKTXGNVKQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione (CAS 581-83-9), with molecular formula C16H11F3O2 and molecular weight 292.07 g/mol. IUPAC: 4,4,4-trifluoro-1-(4-phenylphenyl)butane-1,3-dione.
Chemical Property Profile of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione
Property Insights of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione
The XLogP value of 4.2 indicates that 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione 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 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione?
The CAS number of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione is 581-83-9.
What is the molecular formula of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione?
The molecular formula of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione is C16H11F3O2.
What is the molecular weight of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione?
The molecular weight of 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione is 292.07 g/mol.
Where can I buy 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione?
You can request a quote for 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1'-Biphenyl)-4-yl-4,4,4-trifluoro-1,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.