(E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one
TL;DR: (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one (CAS 372083-57-3) is a chemical compound with molecular formula C19H21F3O and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-8a-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one
Also Known As: (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one, (2E)-8a-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one
| Molecular Formula | C19H21F3O |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 5.6482 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.15445 |
| Heavy Atoms | 23 |
| Complexity | 627.00995 |
Chemical Identifiers
| CAS Number | 372083-57-3 |
|---|---|
| SMILES | CC12CCCCC1CC/C(=C\C3=CC=C(C=C3)C(F)(F)F)/C2=O |
Product Overview
(E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one (CAS 372083-57-3), with molecular formula C19H21F3O and molecular weight 322.15 g/mol. IUPAC: (2E)-8a-methyl-2-[[4-(trifluoromethyl)phenyl]methylidene]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one.
Chemical Property Profile of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one
Property Insights of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one
The XLogP value of 5.6482 indicates that (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one?
The CAS number of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one is 372083-57-3.
What is the molecular formula of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one?
The molecular formula of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one is C19H21F3O.
What is the molecular weight of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one?
The molecular weight of (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one is 322.15 g/mol.
Where can I buy (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one?
You can request a quote for (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8a-methyl-2-(4-(trifluoromethyl)benzylidene)octahydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.