3-(2-Furyl)benzonitrile
TL;DR: 3-(2-Furyl)benzonitrile (CAS 112598-77-3) is a chemical compound with molecular formula C11H7NO and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)benzonitrile
Also Known As: 3-(2-furyl)benzonitrile, 3-(furan-2-yl)benzonitrile, Benzonitrile,3-(2-furanyl)-, 3-Furan-2-yl-benzonitrile, 3-(2-furanyl)benzonitrile
| Molecular Formula | C11H7NO |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 2.81828 |
| Topological Polar Surface Area | 36.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.05276 |
| Heavy Atoms | 13 |
| Complexity | 437.3639 |
Chemical Identifiers
| CAS Number | 112598-77-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C2=CC=CO2)C#N |
Product Overview
3-(2-Furyl)benzonitrile (CAS 112598-77-3), with molecular formula C11H7NO and molecular weight 169.05 g/mol. IUPAC: 3-(furan-2-yl)benzonitrile.
Chemical Property Profile of 3-(2-Furyl)benzonitrile
Property Insights of 3-(2-Furyl)benzonitrile
The XLogP value of 2.81828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Furyl)benzonitrile. With a topological polar surface area (TPSA) of 36.93 Ų, 3-(2-Furyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Furyl)benzonitrile 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 3-(2-Furyl)benzonitrile?
The CAS number of 3-(2-Furyl)benzonitrile is 112598-77-3.
What is the molecular formula of 3-(2-Furyl)benzonitrile?
The molecular formula of 3-(2-Furyl)benzonitrile is C11H7NO.
What is the molecular weight of 3-(2-Furyl)benzonitrile?
The molecular weight of 3-(2-Furyl)benzonitrile is 169.05 g/mol.
Where can I buy 3-(2-Furyl)benzonitrile?
You can request a quote for 3-(2-Furyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Furyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Furyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.