![2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile structure](/static/products/369/369604-95-5.png)
2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
TL;DR: 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 369604-95-5) is a chemical compound with molecular formula C19H19FN4S and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(4-fluorophenyl)methylsulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-[(4-fluorobenzyl)sulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 8-amino-10-[(4-fluorophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
| Molecular Formula | C19H19FN4S |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.13144 |
| Heavy Atoms | 25 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 369604-95-5 |
|---|---|
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)F)N)C#N |
| InChIKey | JJMCWTNJJONPRD-UHFFFAOYSA-N |
Product Overview
2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 369604-95-5), with molecular formula C19H19FN4S and molecular weight 354.13 g/mol. IUPAC: 2-amino-4-[(4-fluorophenyl)methylsulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Property Insights of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
The XLogP value of 4.8 indicates that 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile has 2 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 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The CAS number of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 369604-95-5.
What is the molecular formula of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular formula of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is C19H19FN4S.
What is the molecular weight of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular weight of 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 354.13 g/mol.
Where can I buy 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
You can request a quote for 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-((4-fluorobenzyl)thio)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.