2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
TL;DR: 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid (CAS 500786-62-9) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-oxoisoquinoline-3-carboxylic acid
Also Known As: 2-ethyl-1-oxoisoquinoline-3-carboxylic acid, 2-ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid, 3-isoquinolinecarboxylic acid,2-ethyl-1,2-dihydro-1-oxo-, F2173-2191, 2-ethyl-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 500786-62-9 |
|---|---|
| SMILES | CCN1C(=CC2=CC=CC=C2C1=O)C(=O)O |
| InChIKey | GMFWPADSXBPIPA-UHFFFAOYSA-N |
Product Overview
2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid (CAS 500786-62-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 2-ethyl-1-oxoisoquinoline-3-carboxylic acid.
Chemical Property Profile of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
Property Insights of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid?
The CAS number of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid is 500786-62-9.
What is the molecular formula of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid?
The molecular formula of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid is C12H11NO3.
What is the molecular weight of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid?
The molecular weight of 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid is 217.07 g/mol.
Where can I buy 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid?
You can request a quote for 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.