![7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile structure](/static/products/797/797773-59-2.png)
7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
TL;DR: 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile (CAS 797773-59-2) is a chemical compound with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-methylsulfanyl-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
Also Known As: 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile, 7-(2-(4-chlorophenyl)-2-oxoethoxy)-9-(methylthio)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile, 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-methylsulfanyl-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
| Molecular Formula | C20H18ClN3O2S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 4.53626 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0808 |
| Heavy Atoms | 27 |
| Complexity | 900.6399 |
Chemical Identifiers
| CAS Number | 797773-59-2 |
|---|---|
| SMILES | CSC1=C(C2(CCCC2)C(=C(N1)OCC(=O)C3=CC=C(C=C3)Cl)C#N)C#N |
Product Overview
7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile (CAS 797773-59-2), with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol. IUPAC: 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-methylsulfanyl-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile.
Chemical Property Profile of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
Property Insights of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
The XLogP value of 4.53626 indicates that 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile. Following Lipinski's Rule of Five, 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile?
The CAS number of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile is 797773-59-2.
What is the molecular formula of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile?
The molecular formula of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile is C20H18ClN3O2S.
What is the molecular weight of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile?
The molecular weight of 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile is 399.08 g/mol.
Where can I buy 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile?
You can request a quote for 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-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-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(4-chlorophenyl)-2-oxoethoxy]-9-(methylsulfanyl)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.