![2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile structure](/static/products/6926/6926-91-6.webp)
2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
TL;DR: 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 6926-91-6) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 10-hydroxy-8-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile, 8-hydroxy-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.49826 |
| Topological Polar Surface Area | 79.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 448.8606 |
Chemical Identifiers
| CAS Number | 6926-91-6 |
|---|---|
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C#N)S)O)C#N |
Product Overview
2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 6926-91-6), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 2-hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Property Insights of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
The XLogP value of 2.49826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile. The TPSA of 79.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile has 3 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-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The CAS number of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 6926-91-6.
What is the molecular formula of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular formula of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is C12H13N3OS.
What is the molecular weight of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular weight of 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 247.08 g/mol.
Where can I buy 2-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
You can request a quote for 2-Hydroxy-4-sulfanyl-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-Hydroxy-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-sulfanyl-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.