2-Trifluoromethylphytonadione
TL;DR: 2-Trifluoromethylphytonadione (CAS 119052-95-8) is a chemical compound with molecular formula C31H43F3O2 and molecular weight 504.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-3-(trifluoromethyl)naphthalene-1,4-dione
Also Known As: 2-Trifluoromethylphytonadione, 2-Trifluoromethylphylloquinone, 2-Trifluoromethyl-3-phytyl-1,4-naphthoquinone, 1,4-Naphthalenedione,2-(3,7,11,15-tetramethyl-2-hexadecenyl)-3-(trifluoromethyl)-, [R-[R*,R*-(E)]]-(9CI), 2-[(7R,11R)-3,7,11,15-Tetramethylhexadec-2-enyl]-3-(trifluoromethyl)naphthalene-1,4-dione
| Molecular Formula | C31H43F3O2 |
|---|---|
| Molecular Weight | 504.32 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 504.3215 |
| Heavy Atoms | 36 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 119052-95-8 |
|---|---|
| SMILES | C[C@@H](CCC[C@@H](C)CCCC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)C(F)(F)F)C)CCCC(C)C |
| InChIKey | FFWJVWFHORVNTD-DHIUTWEWSA-N |
Product Overview
2-Trifluoromethylphytonadione (CAS 119052-95-8), with molecular formula C31H43F3O2 and molecular weight 504.32 g/mol. IUPAC: 2-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-3-(trifluoromethyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Trifluoromethylphytonadione
Property Insights of 2-Trifluoromethylphytonadione
The XLogP value of 11.4 indicates that 2-Trifluoromethylphytonadione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Trifluoromethylphytonadione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethylphytonadione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Trifluoromethylphytonadione?
The CAS number of 2-Trifluoromethylphytonadione is 119052-95-8.
What is the molecular formula of 2-Trifluoromethylphytonadione?
The molecular formula of 2-Trifluoromethylphytonadione is C31H43F3O2.
What is the molecular weight of 2-Trifluoromethylphytonadione?
The molecular weight of 2-Trifluoromethylphytonadione is 504.32 g/mol.
Where can I buy 2-Trifluoromethylphytonadione?
You can request a quote for 2-Trifluoromethylphytonadione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoromethylphytonadione?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethylphytonadione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.