1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione
TL;DR: 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione (CAS 86433-72-9) is a chemical compound with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-6-methyl-5,8-dioxoisoquinoline-1-carbonitrile
Also Known As: 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione, 1-Cyano-6-methyl-7-methoxyisoquinoline-5,8-dione, 7-methoxy-6-methyl-5,8-dioxoisoquinoline-1-carbonitrile, 7-methoxy-6-methyl-5,8-dioxo-5,8-dihydroisoquinoline-1-carbonitrile, 7-methoxy-6-methyl-5,8-dioxo-isoquinoline-1-carbonitrile
| Molecular Formula | C12H8N2O3 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.0535 |
| Heavy Atoms | 17 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 86433-72-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C=CN=C2C#N)OC |
| InChIKey | ADTCOIHDNNOMEN-UHFFFAOYSA-N |
Product Overview
1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione (CAS 86433-72-9), with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol. IUPAC: 7-methoxy-6-methyl-5,8-dioxoisoquinoline-1-carbonitrile.
Chemical Property Profile of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione
Property Insights of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione. Following Lipinski's Rule of Five, 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione has 0 hydrogen bond donor(s) and 5 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-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione?
The CAS number of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione is 86433-72-9.
What is the molecular formula of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione?
The molecular formula of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione is C12H8N2O3.
What is the molecular weight of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione?
The molecular weight of 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione is 228.05 g/mol.
Where can I buy 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione?
You can request a quote for 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-7-methoxy-6-methyl-5,8-dihydroisoquinoline-5,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.