![(2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile structure](/static/products/101/1016887-50-5.png)
(2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile
TL;DR: (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile (CAS 1016887-50-5) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10 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[4.5]decan-3-yl)acetonitrile
Also Known As: BB 0218533, (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile, 2-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetonitrile, (2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-3-YL)ACETONITRILE
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 0.76468 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 339.0669 |
Chemical Identifiers
| CAS Number | 1016887-50-5 |
|---|---|
| SMILES | C1CCC2(CC1)C(=O)N(C(=O)N2)CC#N |
Product Overview
(2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile (CAS 1016887-50-5), with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol. IUPAC: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetonitrile.
Chemical Property Profile of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile
Property Insights of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile
The XLogP value of 0.76468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile. Following Lipinski's Rule of Five, (2,4-Dioxo-1,3-diazaspiro[4.5]dec-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 (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile?
The CAS number of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile is 1016887-50-5.
What is the molecular formula of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile?
The molecular formula of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile is C10H13N3O2.
What is the molecular weight of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile?
The molecular weight of (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile is 207.10 g/mol.
Where can I buy (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile?
You can request a quote for (2,4-Dioxo-1,3-diazaspiro[4.5]dec-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 (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.