![7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile structure](/static/products/2141/214119-93-4.webp)
7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile
TL;DR: 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile (CAS 214119-93-4) is a chemical compound with molecular formula C18H17N3OS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzylsulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
Also Known As: TimTec1_007005, BAS 00635241, 7-(benzylsulfanyl)-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile, AE-848/33852003, 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile
| Molecular Formula | C18H17N3OS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.10922 |
| Heavy Atoms | 23 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 214119-93-4 |
|---|---|
| SMILES | C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N |
| InChIKey | ONDCHMPVUDSJAD-UHFFFAOYSA-N |
Product Overview
7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile (CAS 214119-93-4), with molecular formula C18H17N3OS and molecular weight 323.11 g/mol. IUPAC: 9-benzylsulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile.
Chemical Property Profile of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile
Property Insights of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile
The XLogP value of 3.3 indicates that 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile. Following Lipinski's Rule of Five, 7-Benzylsulfanyl-9-oxo-8-aza-spiro[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-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The CAS number of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile is 214119-93-4.
What is the molecular formula of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The molecular formula of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile is C18H17N3OS.
What is the molecular weight of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile?
The molecular weight of 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile is 323.11 g/mol.
Where can I buy 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile?
You can request a quote for 7-Benzylsulfanyl-9-oxo-8-aza-spiro[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-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzylsulfanyl-9-oxo-8-aza-spiro[4.5]dec-6-ene-6,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.