1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester
TL;DR: 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester (CAS 23824-33-1) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Also Known As: 4,6-Dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isobutyl ester, 2-methylpropyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate, 1-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-4,6-DIHYDROXY-, ISOBUTYL ESTER, 1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-1,2,3,4-tetrahydro-, isobutyl ester, 1,2,3,4-Tetrahydro-4,6-dihydroxy-1-isoquinolinecarboxylicacidisobutylester
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 23824-33-1 |
|---|---|
| SMILES | CC(C)COC(=O)C1C2=C(C=C(C=C2)O)C(CN1)O |
| InChIKey | CFWZZSMSRRLHCB-UHFFFAOYSA-N |
Product Overview
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester (CAS 23824-33-1), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 2-methylpropyl 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-, isobutyl ester
Property Insights of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl 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-, isobutyl ester. Following Lipinski's Rule of Five, 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl 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-, isobutyl ester?
The CAS number of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester is 23824-33-1.
What is the molecular formula of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester?
The molecular formula of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester is C14H19NO4.
What is the molecular weight of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester?
The molecular weight of 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester is 265.13 g/mol.
Where can I buy 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester?
You can request a quote for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl 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-, isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.