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Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-
TL;DR: Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- (CAS 109970-63-0) is a chemical compound with molecular formula C18H17F and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-[2-(4-fluorophenyl)ethynyl]benzene
Also Known As: FP4Pa, Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-, 1-butyl-4-[2-(4-fluorophenyl)ethynyl]benzene, 1-butyl-4-((4-fluorophenyl)ethynyl)benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]benzene
| Molecular Formula | C18H17F |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 4.5681 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.13142 |
| Heavy Atoms | 19 |
| Complexity | 567.82764 |
Chemical Identifiers
| CAS Number | 109970-63-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F |
Product Overview
Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- (CAS 109970-63-0), with molecular formula C18H17F and molecular weight 252.13 g/mol. IUPAC: 1-butyl-4-[2-(4-fluorophenyl)ethynyl]benzene.
Chemical Property Profile of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-
Property Insights of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-
The XLogP value of 4.5681 indicates that Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- has 0 hydrogen bond donor(s) and 0 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 Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-?
The CAS number of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- is 109970-63-0.
What is the molecular formula of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-?
The molecular formula of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- is C18H17F.
What is the molecular weight of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-?
The molecular weight of Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- is 252.13 g/mol.
Where can I buy Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-?
You can request a quote for Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-butyl-4-[(4-fluorophenyl)ethynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.