1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene
TL;DR: 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene (CAS 74672-15-4) 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-(4-methylpent-4-enyl)-4-(trifluoromethyl)benzene
Also Known As: 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene, 1-(4-methylpent-4-en-1-yl)-4-(trifluoromethyl)benzene, Benzene, 1-(4-methyl-4-pentenyl)-4-(trifluoromethyl)-, 1-(4-methylpent-4-enyl)-4-(trifluoromethyl)benzene, 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene #
| Molecular Formula | C13H15F3 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.11258 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 74672-15-4 |
|---|---|
| SMILES | CC(=C)CCCC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | OIBWFDNUVDRBLM-UHFFFAOYSA-N |
Product Overview
1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene (CAS 74672-15-4), with molecular formula C13H15F3 and molecular weight 228.11 g/mol. IUPAC: 1-(4-methylpent-4-enyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene
Property Insights of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene
The XLogP value of 5.3 indicates that 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene 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 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene?
The CAS number of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene is 74672-15-4.
What is the molecular formula of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene?
The molecular formula of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene is C13H15F3.
What is the molecular weight of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene?
The molecular weight of 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene is 228.11 g/mol.
Where can I buy 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene?
You can request a quote for 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-4-pentenyl)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.