3-Trifluoromethyl-4'-methoxydiphenylamine
TL;DR: 3-Trifluoromethyl-4'-methoxydiphenylamine (CAS 1494-26-4) is a chemical compound with molecular formula C14H12F3NO and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-3-(trifluoromethyl)aniline
Also Known As: N-(4-Methoxyphenyl)-3-(trifluoromethyl)aniline, 3-Trifluoromethyl-4'-methoxydiphenylamine, 4-Heptyloxybenzaldehyde, 3-(Trifluoromethyl)-4'-methoxydiphenylamine, VODIERGLAGAWQU-UHFFFAOYSA-
| Molecular Formula | C14H12F3NO |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0871 |
| Heavy Atoms | 19 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 1494-26-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | VODIERGLAGAWQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Trifluoromethyl-4'-methoxydiphenylamine (CAS 1494-26-4), with molecular formula C14H12F3NO and molecular weight 267.09 g/mol. IUPAC: N-(4-methoxyphenyl)-3-(trifluoromethyl)aniline.
Chemical Property Profile of 3-Trifluoromethyl-4'-methoxydiphenylamine
Property Insights of 3-Trifluoromethyl-4'-methoxydiphenylamine
The XLogP value of 4.3 indicates that 3-Trifluoromethyl-4'-methoxydiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 3-Trifluoromethyl-4'-methoxydiphenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Trifluoromethyl-4'-methoxydiphenylamine has 1 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 3-Trifluoromethyl-4'-methoxydiphenylamine?
The CAS number of 3-Trifluoromethyl-4'-methoxydiphenylamine is 1494-26-4.
What is the molecular formula of 3-Trifluoromethyl-4'-methoxydiphenylamine?
The molecular formula of 3-Trifluoromethyl-4'-methoxydiphenylamine is C14H12F3NO.
What is the molecular weight of 3-Trifluoromethyl-4'-methoxydiphenylamine?
The molecular weight of 3-Trifluoromethyl-4'-methoxydiphenylamine is 267.09 g/mol.
Where can I buy 3-Trifluoromethyl-4'-methoxydiphenylamine?
You can request a quote for 3-Trifluoromethyl-4'-methoxydiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Trifluoromethyl-4'-methoxydiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Trifluoromethyl-4'-methoxydiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.