2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one
TL;DR: 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one (CAS 75122-66-6) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-methylisoquinolin-3-one
Also Known As: starbld0013166, 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one, 2-amino-1-methylisoquinolin-3-one, 2-amino-1-methyl-isoquinolin-3-one, 2-Amino-1-methylisoquinolin-3(2H)-one
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.02372 |
| Topological Polar Surface Area | 48.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 513.80396 |
Chemical Identifiers
| CAS Number | 75122-66-6 |
|---|---|
| SMILES | CC1=C2C=CC=CC2=CC(=O)N1N |
Product Overview
2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one (CAS 75122-66-6), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 2-amino-1-methylisoquinolin-3-one.
Chemical Property Profile of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one
Property Insights of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one
The XLogP value of 1.02372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one. With a topological polar surface area (TPSA) of 48.02 Ų, 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-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 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one?
The CAS number of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one is 75122-66-6.
What is the molecular formula of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one?
The molecular formula of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one is C10H10N2O.
What is the molecular weight of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one?
The molecular weight of 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one is 174.08 g/mol.
Where can I buy 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one?
You can request a quote for 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-methyl-2,3-dihydroisoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.