3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-
TL;DR: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- (CAS 89806-32-6) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-oxoisoquinoline-3-carboxylic acid
Also Known As: 2-methyl-1-oxoisoquinoline-3-carboxylic acid, 2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-, VU0513211-1, 2-methyl-1-oxo-isoquinoline-3-carboxylic Acid
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.2367 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 598.2948 |
Chemical Identifiers
| CAS Number | 89806-32-6 |
|---|---|
| SMILES | CN1C(=CC2=CC=CC=C2C1=O)C(=O)O |
Product Overview
3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- (CAS 89806-32-6), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 2-methyl-1-oxoisoquinoline-3-carboxylic acid.
Chemical Property Profile of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-
Property Insights of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-
The XLogP value of 1.2367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-. With a topological polar surface area (TPSA) of 59.3 Ų, 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- 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 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-?
The CAS number of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- is 89806-32-6.
What is the molecular formula of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-?
The molecular formula of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- is C11H9NO3.
What is the molecular weight of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-?
The molecular weight of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- is 203.06 g/mol.
Where can I buy 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-?
You can request a quote for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.