1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
TL;DR: 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one (CAS 57621-04-2) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)ethanone
Also Known As: 2-acetyl-6,7-dimethoxy-1-methylene-1,2,3,4-tetrahydroisoquinoline, 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)ethanone, 1-(6,7-Dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 1-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)ethanone, Ethyl 2-((tert-butoxycarbonyl)methyl)thiazole-4-carboxylate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.0791 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 508.00574 |
Chemical Identifiers
| CAS Number | 57621-04-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC(=C(C=C2C1=C)OC)OC |
Product Overview
1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one (CAS 57621-04-2), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)ethanone.
Chemical Property Profile of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Property Insights of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
The XLogP value of 2.0791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one. With a topological polar surface area (TPSA) of 38.77 Ų, 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one has 0 hydrogen bond donor(s) and 3 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-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one?
The CAS number of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one is 57621-04-2.
What is the molecular formula of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one?
The molecular formula of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one is C14H17NO3.
What is the molecular weight of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one?
The molecular weight of 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one is 247.12 g/mol.
Where can I buy 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one?
You can request a quote for 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6,7-Dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.