![2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile structure](/static/products/876/876536-90-2.png)
2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile
TL;DR: 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile (CAS 876536-90-2) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetonitrile
Also Known As: 2-{2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile, 2-(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)acetonitrile
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.15478 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 350.7314 |
Chemical Identifiers
| CAS Number | 876536-90-2 |
|---|---|
| SMILES | C1CCCC2(CC1)C(=O)N(C(=O)N2)CC#N |
Product Overview
2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile (CAS 876536-90-2), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetonitrile.
Chemical Property Profile of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile
Property Insights of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile
The XLogP value of 1.15478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile. Following Lipinski's Rule of Five, 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile 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 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile?
The CAS number of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile is 876536-90-2.
What is the molecular formula of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile?
The molecular formula of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile is C11H15N3O2.
What is the molecular weight of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile?
The molecular weight of 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile is 221.12 g/mol.
Where can I buy 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile?
You can request a quote for 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.