Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate
TL;DR: Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate (CAS 21271-01-2) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate
Also Known As: ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate, Ethyl (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate, 6,7-Dimethoxy-3,4-dihydro-isochinolin-1-essigsaeure-ethylester, RefChem:342459
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 21271-01-2 |
|---|---|
| SMILES | CCOC(=O)CC1=NCCC2=CC(=C(C=C21)OC)OC |
| InChIKey | FDIJYPGDWIHTPK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate (CAS 21271-01-2), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate
Property Insights of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate. With a topological polar surface area (TPSA) of 57.1 Ų, Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate has 0 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 Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate?
The CAS number of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate is 21271-01-2.
What is the molecular formula of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate?
The molecular formula of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate is C15H19NO4.
What is the molecular weight of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate?
The molecular weight of Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate is 277.13 g/mol.
Where can I buy Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate?
You can request a quote for Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.