N-phenylisoquinolin-1-amine
TL;DR: N-phenylisoquinolin-1-amine (CAS 13797-20-1) is a chemical compound with molecular formula C15H12N2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylisoquinolin-1-amine
Also Known As: 1-Anliinoisoquinoline, N-phenylisoquinolin-1-amine, N-Phenyl-1-isoquinolinamine, N-Phenylisoquinoline-1-amine, Isoquinolin-1-yl-phenyl-amine
| Molecular Formula | C15H12N2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10005 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 13797-20-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32 |
| InChIKey | IVKBQKXRJFEWRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenylisoquinolin-1-amine (CAS 13797-20-1), with molecular formula C15H12N2 and molecular weight 220.10 g/mol. IUPAC: N-phenylisoquinolin-1-amine.
Chemical Property Profile of N-phenylisoquinolin-1-amine
Property Insights of N-phenylisoquinolin-1-amine
The XLogP value of 4.0 indicates that N-phenylisoquinolin-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, N-phenylisoquinolin-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenylisoquinolin-1-amine has 1 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 N-phenylisoquinolin-1-amine?
The CAS number of N-phenylisoquinolin-1-amine is 13797-20-1.
What is the molecular formula of N-phenylisoquinolin-1-amine?
The molecular formula of N-phenylisoquinolin-1-amine is C15H12N2.
What is the molecular weight of N-phenylisoquinolin-1-amine?
The molecular weight of N-phenylisoquinolin-1-amine is 220.10 g/mol.
Where can I buy N-phenylisoquinolin-1-amine?
You can request a quote for N-phenylisoquinolin-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylisoquinolin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-phenylisoquinolin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.