7-methoxyisoquinoline-1,3(2H,4H)-dione
TL;DR: 7-methoxyisoquinoline-1,3(2H,4H)-dione (CAS 76746-94-6) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-4H-isoquinoline-1,3-dione
Also Known As: 7-methoxyisoquinoline-1,3(2H,4H)-dione, 7-methoxy-4H-isoquinoline-1,3-dione, 1959AC, 7-METHOXY-1,3(2H,4H)-ISOQUINOLINEDIONE, 1-hydroxy-7-methoxyisoquinolin-3(4H)-one
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 0.5077 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 411.8282 |
Chemical Identifiers
| CAS Number | 76746-94-6 |
|---|---|
| SMILES | COC1=CC2=C(CC(=O)NC2=O)C=C1 |
Product Overview
7-methoxyisoquinoline-1,3(2H,4H)-dione (CAS 76746-94-6), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 7-methoxy-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 7-methoxyisoquinoline-1,3(2H,4H)-dione
Property Insights of 7-methoxyisoquinoline-1,3(2H,4H)-dione
The XLogP value of 0.5077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxyisoquinoline-1,3(2H,4H)-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 7-methoxyisoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methoxyisoquinoline-1,3(2H,4H)-dione 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 7-methoxyisoquinoline-1,3(2H,4H)-dione?
The CAS number of 7-methoxyisoquinoline-1,3(2H,4H)-dione is 76746-94-6.
What is the molecular formula of 7-methoxyisoquinoline-1,3(2H,4H)-dione?
The molecular formula of 7-methoxyisoquinoline-1,3(2H,4H)-dione is C10H9NO3.
What is the molecular weight of 7-methoxyisoquinoline-1,3(2H,4H)-dione?
The molecular weight of 7-methoxyisoquinoline-1,3(2H,4H)-dione is 191.06 g/mol.
Where can I buy 7-methoxyisoquinoline-1,3(2H,4H)-dione?
You can request a quote for 7-methoxyisoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxyisoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxyisoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.