2-(4-Fluorobenzylidene)-1-tetraloneepoxide
TL;DR: 2-(4-Fluorobenzylidene)-1-tetraloneepoxide (CAS 6630-22-4) is a chemical compound with molecular formula C17H13FO2 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
Also Known As: 2-(4-Fluorobenzylidene)-1-tetraloneepoxide, 3'-(4-fluorophenyl)-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-one, 3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one, J3.582.905I, 3 -(4-Fluorophenyl)spiro[tetralin-2,2 -oxirane]-1-one
| Molecular Formula | C17H13FO2 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.08997 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 6630-22-4 |
|---|---|
| SMILES | C1CC2(C(O2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C41 |
| InChIKey | AOJSZYRQBJDUAE-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorobenzylidene)-1-tetraloneepoxide (CAS 6630-22-4), with molecular formula C17H13FO2 and molecular weight 268.09 g/mol. IUPAC: 3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.
Chemical Property Profile of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide
Property Insights of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide
The XLogP value of 3.2 indicates that 2-(4-Fluorobenzylidene)-1-tetraloneepoxide 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-tetraloneepoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorobenzylidene)-1-tetraloneepoxide has 0 hydrogen bond donor(s) and 3 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-tetraloneepoxide?
The CAS number of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide is 6630-22-4.
What is the molecular formula of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide?
The molecular formula of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide is C17H13FO2.
What is the molecular weight of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide?
The molecular weight of 2-(4-Fluorobenzylidene)-1-tetraloneepoxide is 268.09 g/mol.
Where can I buy 2-(4-Fluorobenzylidene)-1-tetraloneepoxide?
You can request a quote for 2-(4-Fluorobenzylidene)-1-tetraloneepoxide 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-tetraloneepoxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorobenzylidene)-1-tetraloneepoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.