![9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile structure](/static/products/5306/5306-16-1.webp)
9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
TL;DR: 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile (CAS 5306-16-1) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
Also Known As: 9-methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile, AB00079720-01, 3-methyl-8,10-dioxo-9-azaspiro[5.5]undecane-7,11-dicarbonitrile
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 1.11886 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 429.6085 |
Chemical Identifiers
| CAS Number | 5306-16-1 |
|---|---|
| SMILES | CC1CCC2(CC1)C(C(=O)NC(=O)C2C#N)C#N |
Product Overview
9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile (CAS 5306-16-1), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 9-methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile.
Chemical Property Profile of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
Property Insights of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
The XLogP value of 1.11886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-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 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
The CAS number of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile is 5306-16-1.
What is the molecular formula of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
The molecular formula of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile is C13H15N3O2.
What is the molecular weight of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
The molecular weight of 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile is 245.12 g/mol.
Where can I buy 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
You can request a quote for 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.