![7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile structure](/static/products/214/214119-97-8.png)
7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
TL;DR: 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile (CAS 214119-97-8) is a chemical compound with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
Also Known As: 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile, 9-Oxo-7-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, 9-oxo-7-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, 9-oxo-7-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, 9-oxo-7-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]thio}-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
| Molecular Formula | C22H17N3O4S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.09396 |
| Heavy Atoms | 30 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 214119-97-8 |
|---|---|
| SMILES | C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N |
| InChIKey | HSYQDFBBIQXQIR-UHFFFAOYSA-N |
Product Overview
7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile (CAS 214119-97-8), with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol. IUPAC: 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile.
Chemical Property Profile of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
Property Insights of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
The XLogP value of 3.4 indicates that 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile?
The CAS number of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile is 214119-97-8.
What is the molecular formula of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile?
The molecular formula of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile is C22H17N3O4S.
What is the molecular weight of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile?
The molecular weight of 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile is 419.09 g/mol.
Where can I buy 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile?
You can request a quote for 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-oxo-9-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.