6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one
TL;DR: 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one (CAS 313972-44-0) is a chemical compound with molecular formula C20H18F3NO and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(cyclohexylamino)-3-(trifluoromethyl)phenalen-1-one
Also Known As: ChemDiv3_014323, 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one, IDI1_030121, J1.823.004F, 6-(cyclohexylamino)-3-(trifluoromethyl)phenalen-1-one
| Molecular Formula | C20H18F3NO |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.13406 |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 313972-44-0 |
|---|---|
| SMILES | C1CCC(CC1)NC2=C3C=CC=C4C3=C(C=C2)C(=CC4=O)C(F)(F)F |
| InChIKey | WGRODSVWOMDGKF-UHFFFAOYSA-N |
Product Overview
6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one (CAS 313972-44-0), with molecular formula C20H18F3NO and molecular weight 345.13 g/mol. IUPAC: 6-(cyclohexylamino)-3-(trifluoromethyl)phenalen-1-one.
Chemical Property Profile of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one
Property Insights of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one
The XLogP value of 5.4 indicates that 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one?
The CAS number of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one is 313972-44-0.
What is the molecular formula of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one?
The molecular formula of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one is C20H18F3NO.
What is the molecular weight of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one?
The molecular weight of 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one is 345.13 g/mol.
Where can I buy 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one?
You can request a quote for 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(cyclohexylamino)-3-(trifluoromethyl)-1H-phenalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.