1-(4-Aminobenzyl)isoquinoline
TL;DR: 1-(4-Aminobenzyl)isoquinoline (CAS 42398-69-6) is a chemical compound with molecular formula C16H14N2 and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylisoquinolin-1-amine
Also Known As: 4-benzylisoquinolin-1-amine, 1-(4-Aminobenzyl)isoquinoline, 1-Amino-4-benzyl-isochinolin, 4-Benzylisoquinolin-1(2H)-imine, 4-(isoquinolin-1-ylmethyl)aniline
| Molecular Formula | C16H14N2 |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.11569 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 42398-69-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CN=C(C3=CC=CC=C32)N |
| InChIKey | NUPSDJAQBLLBGS-UHFFFAOYSA-N |
Product Overview
1-(4-Aminobenzyl)isoquinoline (CAS 42398-69-6), with molecular formula C16H14N2 and molecular weight 234.12 g/mol. IUPAC: 4-benzylisoquinolin-1-amine.
Chemical Property Profile of 1-(4-Aminobenzyl)isoquinoline
Property Insights of 1-(4-Aminobenzyl)isoquinoline
The XLogP value of 3.7 indicates that 1-(4-Aminobenzyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.9 Ų, 1-(4-Aminobenzyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Aminobenzyl)isoquinoline 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 1-(4-Aminobenzyl)isoquinoline?
The CAS number of 1-(4-Aminobenzyl)isoquinoline is 42398-69-6.
What is the molecular formula of 1-(4-Aminobenzyl)isoquinoline?
The molecular formula of 1-(4-Aminobenzyl)isoquinoline is C16H14N2.
What is the molecular weight of 1-(4-Aminobenzyl)isoquinoline?
The molecular weight of 1-(4-Aminobenzyl)isoquinoline is 234.12 g/mol.
Where can I buy 1-(4-Aminobenzyl)isoquinoline?
You can request a quote for 1-(4-Aminobenzyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminobenzyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminobenzyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.