2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
TL;DR: 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CAS 27340-76-7) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Also Known As: 2-ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid, Isoquinaldic acid, 1,2,3,4-tetrahydro-2-ethyl-4,6-dihydroxy-, 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-ethyl-, 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid, 2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 27340-76-7 |
|---|---|
| SMILES | CCN1CC(C2=C(C1C(=O)O)C=CC(=C2)O)O |
| InChIKey | AEZYBASQRZFBDR-UHFFFAOYSA-N |
Product Overview
2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CAS 27340-76-7), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 2-ethyl-4,6-dihydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.
Chemical Property Profile of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Property Insights of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
The XLogP value of -1.8 indicates that 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid. Following Lipinski's Rule of Five, 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has 3 hydrogen bond donor(s) and 5 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-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The CAS number of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is 27340-76-7.
What is the molecular formula of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The molecular formula of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is C12H15NO4.
What is the molecular weight of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The molecular weight of 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is 237.10 g/mol.
Where can I buy 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
You can request a quote for 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-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-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.