2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid
TL;DR: 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid (CAS 53546-85-3) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
Also Known As: 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid, AA050, 6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline-1-acetic acid, (6,7-Diethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetic acid, I14-57147
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 2.1455 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 487.00702 |
Chemical Identifiers
| CAS Number | 53546-85-3 |
|---|---|
| SMILES | CCOC1=C(C=C2C(NCCC2=C1)CC(=O)O)OCC |
Product Overview
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid (CAS 53546-85-3), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid.
Chemical Property Profile of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid
Property Insights of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid
The XLogP value of 2.1455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid. Following Lipinski's Rule of Five, 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid has 2 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 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid?
The CAS number of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid is 53546-85-3.
What is the molecular formula of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid?
The molecular formula of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid is C15H21NO4.
What is the molecular weight of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid?
The molecular weight of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid is 279.15 g/mol.
Where can I buy 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid?
You can request a quote for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.