3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid
TL;DR: 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid (CAS 121089-93-8) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid
Also Known As: 1-Isoquinolinepropanoic acid, 3,4-dihydro-6,7-dimethoxy-, 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 121089-93-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CCC(=O)O)OC |
| InChIKey | SWLUWLKPPIEHMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid (CAS 121089-93-8), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid.
Chemical Property Profile of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid
Property Insights of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid has 1 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 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid?
The CAS number of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid is 121089-93-8.
What is the molecular formula of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid?
The molecular formula of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid is C14H17NO4.
What is the molecular weight of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid?
The molecular weight of 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid is 263.12 g/mol.
Where can I buy 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid?
You can request a quote for 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.