6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
TL;DR: 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one (CAS 331244-81-6) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
Also Known As: 6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one, 6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisocarbostyril, 6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinone, 6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-ol, 6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-one
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.7683 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 465.97754 |
Chemical Identifiers
| CAS Number | 331244-81-6 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C(=O)N1)OC)OC)C |
Product Overview
6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one (CAS 331244-81-6), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
Property Insights of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
The XLogP value of 1.7683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one. With a topological polar surface area (TPSA) of 47.56 Ų, 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one has 1 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 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
The CAS number of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one is 331244-81-6.
What is the molecular formula of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
The molecular formula of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one is C13H17NO3.
What is the molecular weight of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
The molecular weight of 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one is 235.12 g/mol.
Where can I buy 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
You can request a quote for 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.