6-Phenylisoquinoline
TL;DR: 6-Phenylisoquinoline (CAS 70125-61-0) is a chemical compound with molecular formula C15H11N and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylisoquinoline
Also Known As: 6-Phenylisoquinoline, Isoquinoline, 6-phenyl-, 6-phenyl-isoquinoline, InChI=1/C15H11N/c1-2-4-12(5-3-1)13-6-7-15-11-16-9-8-14(15)10-13/h1-11
| Molecular Formula | C15H11N |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.08914 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 70125-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C2)C=NC=C3 |
| InChIKey | CNTILWPLENFTMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Phenylisoquinoline (CAS 70125-61-0), with molecular formula C15H11N and molecular weight 205.09 g/mol. IUPAC: 6-phenylisoquinoline.
Chemical Property Profile of 6-Phenylisoquinoline
Property Insights of 6-Phenylisoquinoline
The XLogP value of 3.7 indicates that 6-Phenylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 6-Phenylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenylisoquinoline has 0 hydrogen bond donor(s) and 1 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 6-Phenylisoquinoline?
The CAS number of 6-Phenylisoquinoline is 70125-61-0.
What is the molecular formula of 6-Phenylisoquinoline?
The molecular formula of 6-Phenylisoquinoline is C15H11N.
What is the molecular weight of 6-Phenylisoquinoline?
The molecular weight of 6-Phenylisoquinoline is 205.09 g/mol.
Where can I buy 6-Phenylisoquinoline?
You can request a quote for 6-Phenylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.