2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol
TL;DR: 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol (CAS 80018-40-2) 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-(trifluoromethyl)phenyl]carbonimidoyl]-4-fluorophenol
Also Known As: 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol, Phenol, 2-((butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluoro-, (6E)-6-[butylamino-[4-(trifluoromethyl)phenyl]methylidene]-4-fluorocyclohexa-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 | 80018-40-2 |
|---|---|
| SMILES | CCCCN=C(C1=CC=C(C=C1)C(F)(F)F)C2=C(C=CC(=C2)F)O |
Product Overview
2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol (CAS 80018-40-2), with molecular formula C18H17F4NO and molecular weight 339.12 g/mol. IUPAC: 2-[N-butyl-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]-4-fluorophenol.
Chemical Property Profile of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol
Property Insights of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol
The XLogP value of 5.1876 indicates that 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol 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-(trifluoromethyl)phenyl)methyl)-4-fluorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol 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-(trifluoromethyl)phenyl)methyl)-4-fluorophenol?
The CAS number of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol is 80018-40-2.
What is the molecular formula of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol?
The molecular formula of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol is C18H17F4NO.
What is the molecular weight of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol?
The molecular weight of 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol is 339.12 g/mol.
Where can I buy 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol?
You can request a quote for 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol 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-(trifluoromethyl)phenyl)methyl)-4-fluorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((Butylimino)(4-(trifluoromethyl)phenyl)methyl)-4-fluorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.