1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 63586-82-3) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Also Known As: 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic Acid, 1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 0.4257 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 400.10852 |
Chemical Identifiers
| CAS Number | 63586-82-3 |
|---|---|
| SMILES | C1C(NC(=O)C2=CC=CC=C21)C(=O)O |
Product Overview
1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 63586-82-3), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 0.4257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has 2 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 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 63586-82-3.
What is the molecular formula of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C10H9NO3.
What is the molecular weight of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 191.06 g/mol.
Where can I buy 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for 1-Oxo-1,2,3,4-tetrahydroisoquinoline-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 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.