7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile
TL;DR: 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile (CAS 42940-56-7) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
Also Known As: 7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile, Buspirone Impurity 03, Buspirone Impurity 34, BAS 00613441, 8-Azaspiro[4.5]decane-6,10-dicarbonitrile, 7,9-dioxo-
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 42940-56-7 |
|---|---|
| SMILES | C1CCC2(C1)C(C(=O)NC(=O)C2C#N)C#N |
| InChIKey | USIMPDHJLHKMKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile (CAS 42940-56-7), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile.
Chemical Property Profile of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile
Property Insights of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile. Following Lipinski's Rule of Five, 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-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 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile?
The CAS number of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile is 42940-56-7.
What is the molecular formula of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile?
The molecular formula of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile is C11H11N3O2.
What is the molecular weight of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile?
The molecular weight of 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile is 217.09 g/mol.
Where can I buy 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile?
You can request a quote for 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Dioxo-8-azaspiro(4.5)decane-6,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.