Isoquinoline-5-carbonitrile
TL;DR: Isoquinoline-5-carbonitrile (CAS 27655-41-0) is a chemical compound with molecular formula C10H6N2 and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinoline-5-carbonitrile
Also Known As: 5-Cyanoisoquinoline, Isoquinoline-5-carbonitrile, 5-Isoquinolinecarbonitrile, 5-Cyanoquinoline, isoquinoline-5-carbon itrile
| Molecular Formula | C10H6N2 |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.0531 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 27655-41-0 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)C#N |
| InChIKey | XVJDHUCBVHTPGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline-5-carbonitrile (CAS 27655-41-0), with molecular formula C10H6N2 and molecular weight 154.05 g/mol. IUPAC: isoquinoline-5-carbonitrile.
Chemical Property Profile of Isoquinoline-5-carbonitrile
Property Insights of Isoquinoline-5-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-5-carbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, Isoquinoline-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-5-carbonitrile 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 Isoquinoline-5-carbonitrile?
The CAS number of Isoquinoline-5-carbonitrile is 27655-41-0.
What is the molecular formula of Isoquinoline-5-carbonitrile?
The molecular formula of Isoquinoline-5-carbonitrile is C10H6N2.
What is the molecular weight of Isoquinoline-5-carbonitrile?
The molecular weight of Isoquinoline-5-carbonitrile is 154.05 g/mol.
Where can I buy Isoquinoline-5-carbonitrile?
You can request a quote for Isoquinoline-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.