![4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile structure](/static/products/876/876708-30-4.png)
4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile
TL;DR: 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile (CAS 876708-30-4) is a chemical compound with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]benzonitrile
Also Known As: 4-((2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile, 4-[(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)methyl]benzonitrile
| Molecular Formula | C17H19N3O2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 2.70308 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.14774 |
| Heavy Atoms | 22 |
| Complexity | 622.2993 |
Chemical Identifiers
| CAS Number | 876708-30-4 |
|---|---|
| SMILES | C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C#N |
Product Overview
4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile (CAS 876708-30-4), with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol. IUPAC: 4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]benzonitrile.
Chemical Property Profile of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile
Property Insights of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile
The XLogP value of 2.70308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile. Following Lipinski's Rule of Five, 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile has 1 hydrogen bond donor(s) and 3 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 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile?
The CAS number of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile is 876708-30-4.
What is the molecular formula of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile?
The molecular formula of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile is C17H19N3O2.
What is the molecular weight of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile?
The molecular weight of 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile is 297.15 g/mol.
Where can I buy 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile?
You can request a quote for 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.