![[1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile structure](/static/products/5923/59237-10-4.webp)
[1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile
TL;DR: [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile (CAS 59237-10-4) is a chemical compound with molecular formula C16H8N2S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1]benzothiolo[3,2-h]isoquinoline-6-carbonitrile
Also Known As: 6-cyanobenzothieno[3,2-h]isoquinoline, [1]benzothiolo[3,2-h]isoquinoline-6-carbonitrile, 11-Thia-2-aza-benzo[a]fluorene-6-carbonitrile, benzothiopheno[3,2-h]isoquinoline-6-carbonitrile, [1]Benzothieno[3,2-h]isoquinoline-6-carbonitrile
| Molecular Formula | C16H8N2S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.04083 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 59237-10-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=C4C=CN=CC4=C3S2)C#N |
| InChIKey | BTNMVWJDSNMDTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile (CAS 59237-10-4), with molecular formula C16H8N2S and molecular weight 260.04 g/mol. IUPAC: [1]benzothiolo[3,2-h]isoquinoline-6-carbonitrile.
Chemical Property Profile of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile
Property Insights of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile
The XLogP value of 4.2 indicates that [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile. Following Lipinski's Rule of Five, [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile has 0 hydrogen bond donor(s) and 3 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 [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile?
The CAS number of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile is 59237-10-4.
What is the molecular formula of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile?
The molecular formula of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile is C16H8N2S.
What is the molecular weight of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile?
The molecular weight of [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile is 260.04 g/mol.
Where can I buy [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile?
You can request a quote for [1]Benzothiolo[3,2-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 [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1]Benzothiolo[3,2-h]isoquinoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.