1-Methoxy-4-(trifluoromethyl)benzene
TL;DR: 1-Methoxy-4-(trifluoromethyl)benzene (CAS 402-52-8) is a chemical compound with molecular formula C8H7F3O and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-(trifluoromethyl)benzene
Also Known As: 4-(Trifluoromethyl)anisole, 1-methoxy-4-(trifluoromethyl)benzene, 4-Trifluoromethylanisole, 4- anisole, 4-METHOXYBENZOTRIFLUORIDE
| Molecular Formula | C8H7F3O |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.0449 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 402-52-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | CFIPQRIPCRRISV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxy-4-(trifluoromethyl)benzene (CAS 402-52-8), with molecular formula C8H7F3O and molecular weight 176.04 g/mol. IUPAC: 1-methoxy-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Methoxy-4-(trifluoromethyl)benzene
Property Insights of 1-Methoxy-4-(trifluoromethyl)benzene
The XLogP value of 3.2 indicates that 1-Methoxy-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxy-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 4 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-Methoxy-4-(trifluoromethyl)benzene?
The CAS number of 1-Methoxy-4-(trifluoromethyl)benzene is 402-52-8.
What is the molecular formula of 1-Methoxy-4-(trifluoromethyl)benzene?
The molecular formula of 1-Methoxy-4-(trifluoromethyl)benzene is C8H7F3O.
What is the molecular weight of 1-Methoxy-4-(trifluoromethyl)benzene?
The molecular weight of 1-Methoxy-4-(trifluoromethyl)benzene is 176.04 g/mol.
Where can I buy 1-Methoxy-4-(trifluoromethyl)benzene?
You can request a quote for 1-Methoxy-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-Methoxy-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.