![9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile structure](/static/products/1893/189333-46-8.webp)
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
TL;DR: 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile (CAS 189333-46-8) is a chemical compound with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
Also Known As: 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile, 9865AA, 2,4-Dioxo-9-(phenylmethyl)-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile, 3,9-Diazaspiro[5.5]undecane-1,5-dicarbonitrile, 2,4-dioxo-9-(phenylmethyl)-, 333D468
| Molecular Formula | C18H18N4O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.14297 |
| Heavy Atoms | 24 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 189333-46-8 |
|---|---|
| SMILES | C1CN(CCC12C(C(=O)NC(=O)C2C#N)C#N)CC3=CC=CC=C3 |
| InChIKey | QQUSQTIEZXJTMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile (CAS 189333-46-8), with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol. IUPAC: 9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile.
Chemical Property Profile of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
Property Insights of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile has 1 hydrogen bond donor(s) and 5 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-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile?
The CAS number of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile is 189333-46-8.
What is the molecular formula of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile?
The molecular formula of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile is C18H18N4O2.
What is the molecular weight of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile?
The molecular weight of 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile is 322.14 g/mol.
Where can I buy 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile?
You can request a quote for 9-Benzyl-2,4-dioxo-3,9-diazaspiro[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-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.