![7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile structure](/static/products/3408/340809-10-1.webp)
7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
TL;DR: 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile (CAS 340809-10-1) is a chemical compound with molecular formula C18H16ClN3OS and molecular weight 357.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(4-chlorophenyl)methylsulfanyl]-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
Also Known As: 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, AB01304522-01, 9-[(4-chlorophenyl)methylsulfanyl]-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile, 7-((4-chlorobenzyl)thio)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, 7-[(4-chlorophenyl)methylthio]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitr ile
| Molecular Formula | C18H16ClN3OS |
|---|---|
| Molecular Weight | 357.07 g/mol |
| LogP | 4.13836 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.07025 |
| Heavy Atoms | 24 |
| Complexity | 766.93896 |
Chemical Identifiers
| CAS Number | 340809-10-1 |
|---|---|
| SMILES | C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C#N |
Product Overview
7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile (CAS 340809-10-1), with molecular formula C18H16ClN3OS and molecular weight 357.07 g/mol. IUPAC: 9-[(4-chlorophenyl)methylsulfanyl]-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile.
Chemical Property Profile of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
Property Insights of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile
The XLogP value of 4.13836 indicates that 7-[(4-chlorobenzyl)sulfanyl]-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 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile. Following Lipinski's Rule of Five, 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-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 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The CAS number of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is 340809-10-1.
What is the molecular formula of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The molecular formula of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is C18H16ClN3OS.
What is the molecular weight of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The molecular weight of 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile is 357.07 g/mol.
Where can I buy 7-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
You can request a quote for 7-[(4-chlorobenzyl)sulfanyl]-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-[(4-chlorobenzyl)sulfanyl]-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-chlorobenzyl)sulfanyl]-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.