![2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile structure](/static/products/3375/337500-10-4.webp)
2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
TL;DR: 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (CAS 337500-10-4) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylprop-2-enylsulfanyl)-2-oxo-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile
Also Known As: IFLab1_003906, BAS 01369619, 2-((2-methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile, F0894-0078, 2-[(2-methylprop-2-en-1-yl)sulfanyl]-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 3.25096 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 573.30994 |
Chemical Identifiers
| CAS Number | 337500-10-4 |
|---|---|
| SMILES | CC(=C)CSC1=C(C2(CCCCC2)C(C(=O)N1)C#N)C#N |
Product Overview
2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (CAS 337500-10-4), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 4-(2-methylprop-2-enylsulfanyl)-2-oxo-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile.
Chemical Property Profile of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Property Insights of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
The XLogP value of 3.25096 indicates that 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-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-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile?
The CAS number of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile is 337500-10-4.
What is the molecular formula of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile?
The molecular formula of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile is C16H19N3OS.
What is the molecular weight of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile?
The molecular weight of 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile is 301.12 g/mol.
Where can I buy 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile?
You can request a quote for 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-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-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methylallyl)thio)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.