1-(1-Benzothiophen-2-yl)isoquinoline
TL;DR: 1-(1-Benzothiophen-2-yl)isoquinoline (CAS 435278-00-5) is a chemical compound with molecular formula C17H11NS and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-2-yl)isoquinoline
Also Known As: 1-Benzothienylisoquinoline, 1-(1-benzothiophen-2-yl)isoquinoline, 1-(benzo[b]thiophen-2-yl)isoquinoline, Isoquinoline, 1-benzo[b]thien-2-yl-, 2-(1-Isoquinolyl)benzo[b]thiophene
| Molecular Formula | C17H11NS |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.06122 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 435278-00-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2C3=CC4=CC=CC=C4S3 |
| InChIKey | UYFPTZHKCYFUJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Benzothiophen-2-yl)isoquinoline (CAS 435278-00-5), with molecular formula C17H11NS and molecular weight 261.06 g/mol. IUPAC: 1-(1-benzothiophen-2-yl)isoquinoline.
Chemical Property Profile of 1-(1-Benzothiophen-2-yl)isoquinoline
Property Insights of 1-(1-Benzothiophen-2-yl)isoquinoline
The XLogP value of 4.8 indicates that 1-(1-Benzothiophen-2-yl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(1-Benzothiophen-2-yl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzothiophen-2-yl)isoquinoline 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 1-(1-Benzothiophen-2-yl)isoquinoline?
The CAS number of 1-(1-Benzothiophen-2-yl)isoquinoline is 435278-00-5.
What is the molecular formula of 1-(1-Benzothiophen-2-yl)isoquinoline?
The molecular formula of 1-(1-Benzothiophen-2-yl)isoquinoline is C17H11NS.
What is the molecular weight of 1-(1-Benzothiophen-2-yl)isoquinoline?
The molecular weight of 1-(1-Benzothiophen-2-yl)isoquinoline is 261.06 g/mol.
Where can I buy 1-(1-Benzothiophen-2-yl)isoquinoline?
You can request a quote for 1-(1-Benzothiophen-2-yl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzothiophen-2-yl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzothiophen-2-yl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.