4-(4-Isoquinolyl)benzonitrile
TL;DR: 4-(4-Isoquinolyl)benzonitrile (CAS 1023549-76-9) is a chemical compound with molecular formula C16H10N2 and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isoquinolin-4-ylbenzonitrile
Also Known As: 4-(4-Isoquinolyl)benzonitrile, 4-(Isoquinolin-4-yl)benzonitrile, 4-isoquinolin-4-ylbenzonitrile, 2-(3-Cyanophenyl)benzo[b]thiophene
| Molecular Formula | C16H10N2 |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 3.77348 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0844 |
| Heavy Atoms | 18 |
| Complexity | 731.63684 |
Chemical Identifiers
| CAS Number | 1023549-76-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2C3=CC=C(C=C3)C#N |
Product Overview
4-(4-Isoquinolyl)benzonitrile (CAS 1023549-76-9), with molecular formula C16H10N2 and molecular weight 230.08 g/mol. IUPAC: 4-isoquinolin-4-ylbenzonitrile.
Chemical Property Profile of 4-(4-Isoquinolyl)benzonitrile
Property Insights of 4-(4-Isoquinolyl)benzonitrile
The XLogP value of 3.77348 indicates that 4-(4-Isoquinolyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4-(4-Isoquinolyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Isoquinolyl)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 4-(4-Isoquinolyl)benzonitrile?
The CAS number of 4-(4-Isoquinolyl)benzonitrile is 1023549-76-9.
What is the molecular formula of 4-(4-Isoquinolyl)benzonitrile?
The molecular formula of 4-(4-Isoquinolyl)benzonitrile is C16H10N2.
What is the molecular weight of 4-(4-Isoquinolyl)benzonitrile?
The molecular weight of 4-(4-Isoquinolyl)benzonitrile is 230.08 g/mol.
Where can I buy 4-(4-Isoquinolyl)benzonitrile?
You can request a quote for 4-(4-Isoquinolyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Isoquinolyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Isoquinolyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.