![4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile structure](/static/products/337/337469-13-3.png)
4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile
TL;DR: 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile (CAS 337469-13-3) is a chemical compound with molecular formula C19H16FNS and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluorobenzonitrile
Also Known As: 4-{[4-(butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile, AA-516/12432295, 4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluorobenzonitrile
| Molecular Formula | C19H16FNS |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 4.98938 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.09875 |
| Heavy Atoms | 22 |
| Complexity | 732.7561 |
Chemical Identifiers
| CAS Number | 337469-13-3 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C#N)F |
Product Overview
4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile (CAS 337469-13-3), with molecular formula C19H16FNS and molecular weight 309.10 g/mol. IUPAC: 4-[2-(4-butylsulfanylphenyl)ethynyl]-2-fluorobenzonitrile.
Chemical Property Profile of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile
Property Insights of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile
The XLogP value of 4.98938 indicates that 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile 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 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile?
The CAS number of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile is 337469-13-3.
What is the molecular formula of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile?
The molecular formula of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile is C19H16FNS.
What is the molecular weight of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile?
The molecular weight of 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile is 309.10 g/mol.
Where can I buy 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile?
You can request a quote for 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(Butylsulfanyl)phenyl]ethynyl}-2-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.