2-Fluoro-4-(3-thienyl)benzenecarbonitrile
TL;DR: 2-Fluoro-4-(3-thienyl)benzenecarbonitrile (CAS 886361-69-9) is a chemical compound with molecular formula C11H6FNS and molecular weight 203.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-thiophen-3-ylbenzonitrile
Also Known As: 2-fluoro-4-(thiophen-3-yl)benzonitrile, 2-fluoro-4-(3-thienyl)benzenecarbonitrile, 2-fluoro-4-thiophen-3-ylbenzonitrile, 2-Fluoro-4-(3-thienyl)benzonitrile, 4Z-0702
| Molecular Formula | C11H6FNS |
|---|---|
| Molecular Weight | 203.02 g/mol |
| LogP | 3.42588 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.0205 |
| Heavy Atoms | 14 |
| Complexity | 482.4838 |
Chemical Identifiers
| CAS Number | 886361-69-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CSC=C2)F)C#N |
Product Overview
2-Fluoro-4-(3-thienyl)benzenecarbonitrile (CAS 886361-69-9), with molecular formula C11H6FNS and molecular weight 203.02 g/mol. IUPAC: 2-fluoro-4-thiophen-3-ylbenzonitrile.
Chemical Property Profile of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile
Property Insights of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile
The XLogP value of 3.42588 indicates that 2-Fluoro-4-(3-thienyl)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Fluoro-4-(3-thienyl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(3-thienyl)benzenecarbonitrile 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 2-Fluoro-4-(3-thienyl)benzenecarbonitrile?
The CAS number of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile is 886361-69-9.
What is the molecular formula of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile?
The molecular formula of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile is C11H6FNS.
What is the molecular weight of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile?
The molecular weight of 2-Fluoro-4-(3-thienyl)benzenecarbonitrile is 203.02 g/mol.
Where can I buy 2-Fluoro-4-(3-thienyl)benzenecarbonitrile?
You can request a quote for 2-Fluoro-4-(3-thienyl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-(3-thienyl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-(3-thienyl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.