6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one
TL;DR: 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one (CAS 21763-07-5) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
Also Known As: 6,7-DIMETHOXY-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE, 6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one, 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one, 6,7-DIMETHOXY-1,2-DIHYDROISOQUINOLIN-3(4H)-ONE, J1.501.487C
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 21763-07-5 |
|---|---|
| SMILES | COC1=C(C=C2CNC(=O)CC2=C1)OC |
| InChIKey | FRBTVJSVXIIDIG-UHFFFAOYSA-N |
Product Overview
6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one (CAS 21763-07-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one.
Chemical Property Profile of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one
Property Insights of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one. With a topological polar surface area (TPSA) of 47.6 Ų, 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-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-1,4-dihydroisoquinolin-3(2H)-one?
The CAS number of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one is 21763-07-5.
What is the molecular formula of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one?
The molecular formula of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one is C11H13NO3.
What is the molecular weight of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one?
The molecular weight of 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one is 207.09 g/mol.
Where can I buy 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one?
You can request a quote for 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-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-1,4-dihydroisoquinolin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-1,4-dihydroisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.