2-(4-Fluorobenzylidene)-1-benzosuberone epoxide
TL;DR: 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide (CAS 325819-11-2) is a chemical compound with molecular formula C18H15FO2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(4-fluorophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
Also Known As: 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide, 3'-(4-fluorophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one, 3'-(4-fluorophenyl)-8,9-dihydro-7H-spiro[-benzo[7]annulene-6,2'-oxirane]-5-one
| Molecular Formula | C18H15FO2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 3.855 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10562 |
| Heavy Atoms | 21 |
| Complexity | 707.4132 |
Chemical Identifiers
| CAS Number | 325819-11-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C3(C1)C(O3)C4=CC=C(C=C4)F |
Product Overview
2-(4-Fluorobenzylidene)-1-benzosuberone epoxide (CAS 325819-11-2), with molecular formula C18H15FO2 and molecular weight 282.11 g/mol. IUPAC: 3'-(4-fluorophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one.
Chemical Property Profile of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide
Property Insights of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide
The XLogP value of 3.855 indicates that 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.6 Ų, 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide has 0 hydrogen bond donor(s) and 2 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 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide?
The CAS number of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide is 325819-11-2.
What is the molecular formula of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide?
The molecular formula of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide is C18H15FO2.
What is the molecular weight of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide?
The molecular weight of 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide is 282.11 g/mol.
Where can I buy 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide?
You can request a quote for 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorobenzylidene)-1-benzosuberone epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.