4-Amino-2,3-dimethyl-1(2H)-isoquinolinone
TL;DR: 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone (CAS 767571-82-4) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,3-dimethylisoquinolin-1-one
Also Known As: 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone, 4-amino-2,3-dimethylisoquinolin-1-one, 4-amino-2,3-dimethyl-isoquinolin-1-one, 1(2H)-Isoquinolinone, 4-amino-2,3-dimethyl-, 4-Amino-2,3-dimethylisoquinolin-1(2H)-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 767571-82-4 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=O)N1C)N |
| InChIKey | JHAQZQMEPUHHSO-UHFFFAOYSA-N |
Product Overview
4-Amino-2,3-dimethyl-1(2H)-isoquinolinone (CAS 767571-82-4), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 4-amino-2,3-dimethylisoquinolin-1-one.
Chemical Property Profile of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone
Property Insights of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone. With a topological polar surface area (TPSA) of 46.3 Ų, 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone 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 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone?
The CAS number of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone is 767571-82-4.
What is the molecular formula of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone?
The molecular formula of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone is C11H12N2O.
What is the molecular weight of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone?
The molecular weight of 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone is 188.09 g/mol.
Where can I buy 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone?
You can request a quote for 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.