7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
TL;DR: 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile (CAS 87486-29-1) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-1,2-dimethyl-3,4-dioxoisoquinoline-1-carbonitrile
Also Known As: 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile, 7-methoxy-1,2-dimethyl-3,4-dioxo-isoquinoline-1-carbonitrile, 7-methoxy-1,2-dimethyl-3,4-dioxoisoquinoline-1-carbonitrile, RefChem:310912
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 87486-29-1 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)OC)C(=O)C(=O)N1C)C#N |
| InChIKey | GIJQKJVVXCTEGX-UHFFFAOYSA-N |
Product Overview
7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile (CAS 87486-29-1), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 7-methoxy-1,2-dimethyl-3,4-dioxoisoquinoline-1-carbonitrile.
Chemical Property Profile of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
Property Insights of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 4 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-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
The CAS number of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile is 87486-29-1.
What is the molecular formula of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
The molecular formula of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile is C13H12N2O3.
What is the molecular weight of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
The molecular weight of 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile is 244.08 g/mol.
Where can I buy 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
You can request a quote for 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-1,2-dimethyl-3,4-dioxo-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.