7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione
TL;DR: 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione (CAS 76746-95-7) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-2-methyl-4H-isoquinoline-1,3-dione
Also Known As: Gliquidone Impurity 1, 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione, 7-Methoxy-2-methylisoquinoline-1,3(2H,4H)-dione, 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione, 1,3(2H,4H)-Isoquinolinedione, 7-methoxy-2-methyl-
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.8499 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 439.45923 |
Chemical Identifiers
| CAS Number | 76746-95-7 |
|---|---|
| SMILES | CN1C(=O)CC2=C(C1=O)C=C(C=C2)OC |
Product Overview
7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione (CAS 76746-95-7), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione
Property Insights of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione
The XLogP value of 0.8499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione. With a topological polar surface area (TPSA) of 46.61 Ų, 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione 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 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione?
The CAS number of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione is 76746-95-7.
What is the molecular formula of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione?
The molecular formula of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione is C11H11NO3.
What is the molecular weight of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione?
The molecular weight of 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione is 205.07 g/mol.
Where can I buy 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione?
You can request a quote for 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-2-methyl-1,3(2H,4H)-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.