4'-Ethynyl-2-fluorobiphenyl
TL;DR: 4'-Ethynyl-2-fluorobiphenyl (CAS 56917-29-4) is a chemical compound with molecular formula C14H9F and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-4-(2-fluorophenyl)benzene
Also Known As: Fluretofene, Fluretofeno, Fluretofenum, 4'-Ethynyl-2-fluoro-1,1'-biphenyl, Fluretofen (USAN)
| Molecular Formula | C14H9F |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06883 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 56917-29-4 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)C2=CC=CC=C2F |
| InChIKey | YETULFFXNIHQLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Ethynyl-2-fluorobiphenyl (CAS 56917-29-4), with molecular formula C14H9F and molecular weight 196.07 g/mol. IUPAC: 1-ethynyl-4-(2-fluorophenyl)benzene.
Chemical Property Profile of 4'-Ethynyl-2-fluorobiphenyl
Property Insights of 4'-Ethynyl-2-fluorobiphenyl
The XLogP value of 3.9 indicates that 4'-Ethynyl-2-fluorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4'-Ethynyl-2-fluorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Ethynyl-2-fluorobiphenyl 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 4'-Ethynyl-2-fluorobiphenyl?
The CAS number of 4'-Ethynyl-2-fluorobiphenyl is 56917-29-4.
What is the molecular formula of 4'-Ethynyl-2-fluorobiphenyl?
The molecular formula of 4'-Ethynyl-2-fluorobiphenyl is C14H9F.
What is the molecular weight of 4'-Ethynyl-2-fluorobiphenyl?
The molecular weight of 4'-Ethynyl-2-fluorobiphenyl is 196.07 g/mol.
Where can I buy 4'-Ethynyl-2-fluorobiphenyl?
You can request a quote for 4'-Ethynyl-2-fluorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Ethynyl-2-fluorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4'-Ethynyl-2-fluorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.