Isoquinoline, 1-amino-3-tert-butyl-
TL;DR: Isoquinoline, 1-amino-3-tert-butyl- (CAS 58814-41-8) 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.
3-tert-butylisoquinolin-1-amine
Also Known As: 3-tert-butylisoquinolin-1-amine, 1-Amino-3-tert-butylisoquinoline, Isoquinoline, 1-amino-3-tert-butyl-, 3-tert-butyl-1-isoquinolinylamine, 1-Isoquinolinamine, 3-(1,1-dimethylethyl)-
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 3.1145 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 495.3524 |
Chemical Identifiers
| CAS Number | 58814-41-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=CC=CC=C2C(=N1)N |
Product Overview
Isoquinoline, 1-amino-3-tert-butyl- (CAS 58814-41-8), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 3-tert-butylisoquinolin-1-amine.
Chemical Property Profile of Isoquinoline, 1-amino-3-tert-butyl-
Property Insights of Isoquinoline, 1-amino-3-tert-butyl-
The XLogP value of 3.1145 indicates that Isoquinoline, 1-amino-3-tert-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.91 Ų, Isoquinoline, 1-amino-3-tert-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-amino-3-tert-butyl- 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 Isoquinoline, 1-amino-3-tert-butyl-?
The CAS number of Isoquinoline, 1-amino-3-tert-butyl- is 58814-41-8.
What is the molecular formula of Isoquinoline, 1-amino-3-tert-butyl-?
The molecular formula of Isoquinoline, 1-amino-3-tert-butyl- is C13H16N2.
What is the molecular weight of Isoquinoline, 1-amino-3-tert-butyl-?
The molecular weight of Isoquinoline, 1-amino-3-tert-butyl- is 200.13 g/mol.
Where can I buy Isoquinoline, 1-amino-3-tert-butyl-?
You can request a quote for Isoquinoline, 1-amino-3-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-amino-3-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-amino-3-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.