![Benz[h]isoquinoline-6-carbonitrile structure](/static/products/838/83874-22-0.png)
Benz[h]isoquinoline-6-carbonitrile
TL;DR: Benz[h]isoquinoline-6-carbonitrile (CAS 83874-22-0) is a chemical compound with molecular formula C14H8N2 and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[h]isoquinoline-6-carbonitrile
Also Known As: Benz[h]isoquinoline-6-carbonitrile, Benzo[h]isoquinoline-6-carbonitrile
| Molecular Formula | C14H8N2 |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.06874 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 83874-22-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C2C=NC=C3)C#N |
| InChIKey | UNHQLJAGYYZXPH-UHFFFAOYSA-N |
Product Overview
Benz[h]isoquinoline-6-carbonitrile (CAS 83874-22-0), with molecular formula C14H8N2 and molecular weight 204.07 g/mol. IUPAC: benzo[h]isoquinoline-6-carbonitrile.
Chemical Property Profile of Benz[h]isoquinoline-6-carbonitrile
Property Insights of Benz[h]isoquinoline-6-carbonitrile
The XLogP value of 3.1 indicates that Benz[h]isoquinoline-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, Benz[h]isoquinoline-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz[h]isoquinoline-6-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 Benz[h]isoquinoline-6-carbonitrile?
The CAS number of Benz[h]isoquinoline-6-carbonitrile is 83874-22-0.
What is the molecular formula of Benz[h]isoquinoline-6-carbonitrile?
The molecular formula of Benz[h]isoquinoline-6-carbonitrile is C14H8N2.
What is the molecular weight of Benz[h]isoquinoline-6-carbonitrile?
The molecular weight of Benz[h]isoquinoline-6-carbonitrile is 204.07 g/mol.
Where can I buy Benz[h]isoquinoline-6-carbonitrile?
You can request a quote for Benz[h]isoquinoline-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz[h]isoquinoline-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Benz[h]isoquinoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.