1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one
TL;DR: 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one (CAS 62333-79-3) is a chemical compound with molecular formula C18H18N2O and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-9b-(4-methylphenyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one
Also Known As: 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one, 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto[2,1-a]isoquinolin-2-one, 1-amino-9b-(4-methylphenyl)-4,5-dihydro-1H-azeto[2,1-a]isoqu, 1-amino-9b-(4-methylphenyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one, 1-amino-9b-(p-tolyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one
| Molecular Formula | C18H18N2O |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.1419 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 62333-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23C(C(=O)N2CCC4=CC=CC=C34)N |
| InChIKey | XKFUXXSYHYVHHW-UHFFFAOYSA-N |
Product Overview
1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one (CAS 62333-79-3), with molecular formula C18H18N2O and molecular weight 278.14 g/mol. IUPAC: 1-amino-9b-(4-methylphenyl)-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one.
Chemical Property Profile of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one
Property Insights of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one. With a topological polar surface area (TPSA) of 46.3 Ų, 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one 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-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one?
The CAS number of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one is 62333-79-3.
What is the molecular formula of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one?
The molecular formula of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one is C18H18N2O.
What is the molecular weight of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one?
The molecular weight of 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one is 278.14 g/mol.
Where can I buy 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one?
You can request a quote for 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-9b-(4-methylphenyl)-1,4,5,9b-tetrahydro-2H-azeto(2,1-a)isoquinolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.