3-Phenylisoquinoline
TL;DR: 3-Phenylisoquinoline (CAS 37993-76-3) 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.
3-phenylisoquinoline
Also Known As: 3-Phenylisoquinoline, Isoquinoline, 3-phenyl-, 3-phenyl-isoquinoline, 4-Iodo-L-phenylalanine, 3-phenylisoquinoline (en)
| Molecular Formula | C15H11N |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 3.9 |
| 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 | 37993-76-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=N2 |
| InChIKey | RBJOTRVJJWIIER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylisoquinoline (CAS 37993-76-3), with molecular formula C15H11N and molecular weight 205.09 g/mol. IUPAC: 3-phenylisoquinoline.
Chemical Property Profile of 3-Phenylisoquinoline
Property Insights of 3-Phenylisoquinoline
The XLogP value of 3.9 indicates that 3-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, 3-Phenylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Phenylisoquinoline?
The CAS number of 3-Phenylisoquinoline is 37993-76-3.
What is the molecular formula of 3-Phenylisoquinoline?
The molecular formula of 3-Phenylisoquinoline is C15H11N.
What is the molecular weight of 3-Phenylisoquinoline?
The molecular weight of 3-Phenylisoquinoline is 205.09 g/mol.
Where can I buy 3-Phenylisoquinoline?
You can request a quote for 3-Phenylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.