1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one
TL;DR: 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one (CAS 77280-41-2) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
Also Known As: N-Isobutyryl-salsolidine, (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-(2-methyl-1-oxopropyl)isoquinoline, (S)-6,7-Dimethoxy-1-methyl-2-(2-methyl-1-oxopropyl)-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(2-methyl-1-oxopropyl)-, (S)-, 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 77280-41-2 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1C(=O)C(C)C)OC)OC |
| InChIKey | XPMCMVZPSVQOJI-UHFFFAOYSA-N |
Product Overview
1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one (CAS 77280-41-2), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one.
Chemical Property Profile of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one
Property Insights of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one. With a topological polar surface area (TPSA) of 38.8 Ų, 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-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-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one?
The CAS number of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one is 77280-41-2.
What is the molecular formula of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one?
The molecular formula of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one is C16H23NO3.
What is the molecular weight of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one?
The molecular weight of 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one is 277.17 g/mol.
Where can I buy 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one?
You can request a quote for 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-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-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.