3-(4-Isoquinolinyl)benzonitrile
TL;DR: 3-(4-Isoquinolinyl)benzonitrile (CAS 1023549-77-0) is a chemical compound with molecular formula C16H10N2 and molecular weight 230.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-isoquinolin-4-ylbenzonitrile
Also Known As: 3-(4-Isoquinolinyl)benzonitrile, 3-isoquinolin-4-ylbenzonitrile
Technical Specifications
| Molecular Formula | C16H10N2 |
| Molecular Weight | 230.0844 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0844 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | C1=CC=C2C(=C1)C=NC=C2C3=CC=CC(=C3)C#N |
| InChIKey | MMBSSCYBBJGCKY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Isoquinolinyl)benzonitrile
Property Insights of 3-(4-Isoquinolinyl)benzonitrile
The XLogP value of 3.4 indicates that 3-(4-Isoquinolinyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, 3-(4-Isoquinolinyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Isoquinolinyl)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
What is the CAS number of 3-(4-Isoquinolinyl)benzonitrile?
The CAS number of 3-(4-Isoquinolinyl)benzonitrile is 1023549-77-0.
What is the molecular formula of 3-(4-Isoquinolinyl)benzonitrile?
The molecular formula of 3-(4-Isoquinolinyl)benzonitrile is C16H10N2.
What is the molecular weight of 3-(4-Isoquinolinyl)benzonitrile?
The molecular weight of 3-(4-Isoquinolinyl)benzonitrile is 230.0844 g/mol.
Where can I buy 3-(4-Isoquinolinyl)benzonitrile?
You can request a quote for 3-(4-Isoquinolinyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Isoquinolinyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Isoquinolinyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.