(2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one
TL;DR: (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one (CAS 59203-30-4) is a chemical compound with molecular formula C17H20O and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one
Also Known As: (2E)-2-Benzylideneoctahydronaphthalen-1(2H)-one, (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one
| Molecular Formula | C17H20O |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 4.2393 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.15141 |
| Heavy Atoms | 18 |
| Complexity | 457.75824 |
Chemical Identifiers
| CAS Number | 59203-30-4 |
|---|---|
| SMILES | C1CCC2C(C1)CC/C(=C\C3=CC=CC=C3)/C2=O |
Product Overview
(2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one (CAS 59203-30-4), with molecular formula C17H20O and molecular weight 240.15 g/mol. IUPAC: (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one.
Chemical Property Profile of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one
Property Insights of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one
The XLogP value of 4.2393 indicates that (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-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, (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one has 0 hydrogen bond donor(s) and 1 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 (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one?
The CAS number of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one is 59203-30-4.
What is the molecular formula of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one?
The molecular formula of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one is C17H20O.
What is the molecular weight of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one?
The molecular weight of (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one is 240.15 g/mol.
Where can I buy (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one?
You can request a quote for (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-benzylidene-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.