![7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile structure](/static/products/214/214119-85-4.png)
7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
TL;DR: 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile (CAS 214119-85-4) is a chemical compound with molecular formula C19H15Cl2N3O2S and molecular weight 419.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
Also Known As: 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, 7-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, 9-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile, 9-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
| Molecular Formula | C19H15Cl2N3O2S |
|---|---|
| Molecular Weight | 419.03 g/mol |
| LogP | 4.47446 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.0262 |
| Heavy Atoms | 27 |
| Complexity | 923.8629 |
Chemical Identifiers
| CAS Number | 214119-85-4 |
|---|---|
| SMILES | C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N |
Product Overview
7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile (CAS 214119-85-4), with molecular formula C19H15Cl2N3O2S and molecular weight 419.03 g/mol. IUPAC: 9-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile.
Chemical Property Profile of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
Property Insights of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
The XLogP value of 4.47446 indicates that 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile. Following Lipinski's Rule of Five, 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile has 1 hydrogen bond donor(s) and 5 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-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The CAS number of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is 214119-85-4.
What is the molecular formula of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The molecular formula of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is C19H15Cl2N3O2S.
What is the molecular weight of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The molecular weight of 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is 419.03 g/mol.
Where can I buy 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
You can request a quote for 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-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-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.