1-Butylisoquinolin-3-amine
TL;DR: 1-Butylisoquinolin-3-amine (CAS 82117-28-0) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylisoquinolin-3-amine
Also Known As: 1-butylisoquinolin-3-amine, 1-BUTYL-ISOQUINOLIN-3-YLAMINE, 1-butyl-3-isoquinolylamine, 1-Butylisoquinoline-3-amine, 3-Isoquinolinamine, 1-butyl-
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 3.1596 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 463.04263 |
Chemical Identifiers
| CAS Number | 82117-28-0 |
|---|---|
| SMILES | CCCCC1=NC(=CC2=CC=CC=C21)N |
Product Overview
1-Butylisoquinolin-3-amine (CAS 82117-28-0), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 1-butylisoquinolin-3-amine.
Chemical Property Profile of 1-Butylisoquinolin-3-amine
Property Insights of 1-Butylisoquinolin-3-amine
The XLogP value of 3.1596 indicates that 1-Butylisoquinolin-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.91 Ų, 1-Butylisoquinolin-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylisoquinolin-3-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 1-Butylisoquinolin-3-amine?
The CAS number of 1-Butylisoquinolin-3-amine is 82117-28-0.
What is the molecular formula of 1-Butylisoquinolin-3-amine?
The molecular formula of 1-Butylisoquinolin-3-amine is C13H16N2.
What is the molecular weight of 1-Butylisoquinolin-3-amine?
The molecular weight of 1-Butylisoquinolin-3-amine is 200.13 g/mol.
Where can I buy 1-Butylisoquinolin-3-amine?
You can request a quote for 1-Butylisoquinolin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylisoquinolin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylisoquinolin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.