Styrene, alpha-tert-butyl-p-(trifluoromethyl)-
TL;DR: Styrene, alpha-tert-butyl-p-(trifluoromethyl)- (CAS 22666-67-7) is a chemical compound with molecular formula C13H15F3 and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dimethylbut-1-en-2-yl)-4-(trifluoromethyl)benzene
Also Known As: Styrene, alpha-tert-butyl-p-(trifluoromethyl)-, J1.076.191C, 1-(3,3-dimethylbut-1-en-2-yl)-4-(trifluoromethyl)benzene, Styrene, .alpha.-tert-butyl-p-(trifluoromethyl)-, 3,3-Dimethyl-2-[4-(trifluoromethyl)phenyl]-1-butene
| Molecular Formula | C13H15F3 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.11258 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 22666-67-7 |
|---|---|
| SMILES | CC(C)(C)C(=C)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | OKSQMWKTHMJEHP-UHFFFAOYSA-N |
Product Overview
Styrene, alpha-tert-butyl-p-(trifluoromethyl)- (CAS 22666-67-7), with molecular formula C13H15F3 and molecular weight 228.11 g/mol. IUPAC: 1-(3,3-dimethylbut-1-en-2-yl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of Styrene, alpha-tert-butyl-p-(trifluoromethyl)-
Property Insights of Styrene, alpha-tert-butyl-p-(trifluoromethyl)-
The XLogP value of 5.5 indicates that Styrene, alpha-tert-butyl-p-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Styrene, alpha-tert-butyl-p-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Styrene, alpha-tert-butyl-p-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Styrene, alpha-tert-butyl-p-(trifluoromethyl)-?
The CAS number of Styrene, alpha-tert-butyl-p-(trifluoromethyl)- is 22666-67-7.
What is the molecular formula of Styrene, alpha-tert-butyl-p-(trifluoromethyl)-?
The molecular formula of Styrene, alpha-tert-butyl-p-(trifluoromethyl)- is C13H15F3.
What is the molecular weight of Styrene, alpha-tert-butyl-p-(trifluoromethyl)-?
The molecular weight of Styrene, alpha-tert-butyl-p-(trifluoromethyl)- is 228.11 g/mol.
Where can I buy Styrene, alpha-tert-butyl-p-(trifluoromethyl)-?
You can request a quote for Styrene, alpha-tert-butyl-p-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Styrene, alpha-tert-butyl-p-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Styrene, alpha-tert-butyl-p-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.