1-Fluoro-9,10-bis(phenylethynyl)anthracene
TL;DR: 1-Fluoro-9,10-bis(phenylethynyl)anthracene (CAS 53134-89-7) is a chemical compound with molecular formula C30H17F and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-9,10-bis(2-phenylethynyl)anthracene
Also Known As: 1-Fluoro-9,10-bis(phenylethynyl)anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)anthracene, 3-dimethylamino-4-phenylprop-2-en-1-on, J1.145.637E, Anthracene, 1-fluoro-9,10-bis(2-phenylethynyl)-
| Molecular Formula | C30H17F |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.13144 |
| Heavy Atoms | 31 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 53134-89-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)F |
| InChIKey | YCKSJJIBZGMBEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-9,10-bis(phenylethynyl)anthracene (CAS 53134-89-7), with molecular formula C30H17F and molecular weight 396.13 g/mol. IUPAC: 1-fluoro-9,10-bis(2-phenylethynyl)anthracene.
Chemical Property Profile of 1-Fluoro-9,10-bis(phenylethynyl)anthracene
Property Insights of 1-Fluoro-9,10-bis(phenylethynyl)anthracene
The XLogP value of 8.6 indicates that 1-Fluoro-9,10-bis(phenylethynyl)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Fluoro-9,10-bis(phenylethynyl)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-9,10-bis(phenylethynyl)anthracene 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 1-Fluoro-9,10-bis(phenylethynyl)anthracene?
The CAS number of 1-Fluoro-9,10-bis(phenylethynyl)anthracene is 53134-89-7.
What is the molecular formula of 1-Fluoro-9,10-bis(phenylethynyl)anthracene?
The molecular formula of 1-Fluoro-9,10-bis(phenylethynyl)anthracene is C30H17F.
What is the molecular weight of 1-Fluoro-9,10-bis(phenylethynyl)anthracene?
The molecular weight of 1-Fluoro-9,10-bis(phenylethynyl)anthracene is 396.13 g/mol.
Where can I buy 1-Fluoro-9,10-bis(phenylethynyl)anthracene?
You can request a quote for 1-Fluoro-9,10-bis(phenylethynyl)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-9,10-bis(phenylethynyl)anthracene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-9,10-bis(phenylethynyl)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.