1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester
TL;DR: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester (CAS 23824-30-8) 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.
ethyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Also Known As: 4,6-Dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid ethyl ester, ethyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate, 5-22-05-00387 (Beilstein Handbook Reference), 1-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-4,6-DIHYDROXY-, ETHYL ESTER, 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-1,2,3,4-tetrahydro-, ethyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 23824-30-8 |
|---|---|
| SMILES | CCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1)O |
| InChIKey | OAYKONALAFMHSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester (CAS 23824-30-8), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: ethyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate.
Chemical Property Profile of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester
Property Insights of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester. Following Lipinski's Rule of Five, 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester 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 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester?
The CAS number of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester is 23824-30-8.
What is the molecular formula of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester?
The molecular formula of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester is C12H15NO4.
What is the molecular weight of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester?
The molecular weight of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester is 237.10 g/mol.
Where can I buy 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester?
You can request a quote for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.