4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid
TL;DR: 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid (CAS 842955-83-3) is a chemical compound with molecular formula C15H19NO5 and molecular weight 293.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid
Also Known As: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid, 4-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyric acid, BAS 01025073, 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid, 4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutanoic acid
| Molecular Formula | C15H19NO5 |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 1.4533 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1263 |
| Heavy Atoms | 21 |
| Complexity | 555.2401 |
Chemical Identifiers
| CAS Number | 842955-83-3 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)O)OC |
Product Overview
4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid (CAS 842955-83-3), with molecular formula C15H19NO5 and molecular weight 293.13 g/mol. IUPAC: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid
Property Insights of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid
The XLogP value of 1.4533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 4 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 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid?
The CAS number of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid is 842955-83-3.
What is the molecular formula of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid?
The molecular formula of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid is C15H19NO5.
What is the molecular weight of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid?
The molecular weight of 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid is 293.13 g/mol.
Where can I buy 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid?
You can request a quote for 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.