2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime
TL;DR: 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime (CAS 35419-27-3) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-2-methyl-4-nitrosoisoquinolin-3-one
Also Known As: 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime, 4-hydroxyimino-2-methylisoquinoline-1,3-dione, 4M-745, 4-hydroxyimino-2-methyl-isoquinoline-1,3-dione, (4E)-4-hydroxyimino-2-methylisoquinoline-1,3-dione
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.642 |
| Topological Polar Surface Area | 71.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 601.3744 |
Chemical Identifiers
| CAS Number | 35419-27-3 |
|---|---|
| SMILES | CN1C(=C2C=CC=CC2=C(C1=O)N=O)O |
Product Overview
2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime (CAS 35419-27-3), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 1-hydroxy-2-methyl-4-nitrosoisoquinolin-3-one.
Chemical Property Profile of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime
Property Insights of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime
The XLogP value of 1.642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime. The TPSA of 71.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime. Following Lipinski's Rule of Five, 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime has 1 hydrogen bond donor(s) and 4 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-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime?
The CAS number of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime is 35419-27-3.
What is the molecular formula of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime?
The molecular formula of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime is C10H8N2O3.
What is the molecular weight of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime?
The molecular weight of 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime is 204.05 g/mol.
Where can I buy 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime?
You can request a quote for 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-1,3,4(2H)-isoquinolinetrione 4-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.