2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile
TL;DR: 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile (CAS 4355-15-1) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
Also Known As: Gabapentin Impurity 1, 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile, Gabapentin Impurity 12, Gabapentin Impurity 37, -Dicyano-1,1-cyclohexanediacetamide
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 4355-15-1 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=O)C2C#N)C#N |
| InChIKey | YDDZHTSOBDNNMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile (CAS 4355-15-1), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile.
Chemical Property Profile of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile
Property Insights of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 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 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile?
The CAS number of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile is 4355-15-1.
What is the molecular formula of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile?
The molecular formula of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile is C12H13N3O2.
What is the molecular weight of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile?
The molecular weight of 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile is 231.10 g/mol.
Where can I buy 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile?
You can request a quote for 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 2,4-Dioxo-3-azaspiro(5.5)undecane-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 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.