5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile
TL;DR: 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile (CAS 350809-76-6) is a chemical compound with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-dioxo-4,7-dihydroisoindole-3a,7a-dicarbonitrile
Also Known As: 5-methyl-1,3-dioxo-4,7-dihydroisoindole-3a,7a-dicarbonitrile, 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile, 5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindole-3a,7a-dicarbonitrile
| Molecular Formula | C11H9N3O2 |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 0.40286 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.06947 |
| Heavy Atoms | 16 |
| Complexity | 508.30316 |
Chemical Identifiers
| CAS Number | 350809-76-6 |
|---|---|
| SMILES | CC1=CCC2(C(=O)NC(=O)C2(C1)C#N)C#N |
Product Overview
5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile (CAS 350809-76-6), with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol. IUPAC: 5-methyl-1,3-dioxo-4,7-dihydroisoindole-3a,7a-dicarbonitrile.
Chemical Property Profile of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile
Property Insights of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile
The XLogP value of 0.40286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile. Following Lipinski's Rule of Five, 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile has 1 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 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile?
The CAS number of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile is 350809-76-6.
What is the molecular formula of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile?
The molecular formula of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile is C11H9N3O2.
What is the molecular weight of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile?
The molecular weight of 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile is 215.07 g/mol.
Where can I buy 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile?
You can request a quote for 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-1,3-dioxo-2,3,4,7-tetrahydro-1H-isoindole-3a,7a-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.