2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol
TL;DR: 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol (CAS 80018-43-5) is a chemical compound with molecular formula C18H17F4NO and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-butyl-C-(4-fluorophenyl)carbonimidoyl]-4-(trifluoromethyl)phenol
Also Known As: 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol, Phenol, 2-((butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)-, (6E)-6-[butylamino-(4-fluorophenyl)methylidene]-4-(trifluoromethyl)cyclohexa-2,4-dien-1-one
| Molecular Formula | C18H17F4NO |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 5.1876 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12463 |
| Heavy Atoms | 24 |
| Complexity | 720.7889 |
Chemical Identifiers
| CAS Number | 80018-43-5 |
|---|---|
| SMILES | CCCCN=C(C1=CC=C(C=C1)F)C2=C(C=CC(=C2)C(F)(F)F)O |
Product Overview
2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol (CAS 80018-43-5), with molecular formula C18H17F4NO and molecular weight 339.12 g/mol. IUPAC: 2-[N-butyl-C-(4-fluorophenyl)carbonimidoyl]-4-(trifluoromethyl)phenol.
Chemical Property Profile of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol
Property Insights of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol
The XLogP value of 5.1876 indicates that 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol?
The CAS number of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol is 80018-43-5.
What is the molecular formula of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol?
The molecular formula of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol is C18H17F4NO.
What is the molecular weight of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol?
The molecular weight of 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol is 339.12 g/mol.
Where can I buy 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol?
You can request a quote for 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((Butylimino)(4-fluorophenyl)methyl)-4-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.