![2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide structure](/static/products/1008/1008858-10-3.webp)
2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
TL;DR: 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CAS 1008858-10-3) is a chemical compound with molecular formula C24H27FN4O2S and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-((9-(tert-butyl)-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-[(3-tert-butyl-7,11-dicyano-8-oxo-9-azaspiro[5.5]undec-10-en-10-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-[(9-tert-butyl-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C24H27FN4O2S |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 4.72486 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.18387 |
| Heavy Atoms | 32 |
| Complexity | 1006.4104 |
Chemical Identifiers
| CAS Number | 1008858-10-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)C#N |
Product Overview
2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CAS 1008858-10-3), with molecular formula C24H27FN4O2S and molecular weight 454.18 g/mol. IUPAC: 2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Property Insights of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
The XLogP value of 4.72486 indicates that 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has 2 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 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The CAS number of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is 1008858-10-3.
What is the molecular formula of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is C24H27FN4O2S.
What is the molecular weight of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is 454.18 g/mol.
Where can I buy 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(9-tert-butyl-1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.