![4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide structure](/static/products/885/885460-90-2.png)
4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
TL;DR: 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide (CAS 885460-90-2) is a chemical compound with molecular formula C12H16N4OS and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-cyano-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
Also Known As: 4-AMINO-5-CYANO-2-SULFANYL-3-AZASPIRO[5.5]UNDECA-1,4-DIENE-1-CARBOXAMIDE, 4-amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide, 2-amino-1-cyano-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide, 10-amino-11-cyano-8-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7-carboxamide, 8-amino-7-cyano-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide
| Molecular Formula | C12H16N4OS |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 0.86068 |
| Topological Polar Surface Area | 104.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.1045 |
| Heavy Atoms | 18 |
| Complexity | 494.69702 |
Chemical Identifiers
| CAS Number | 885460-90-2 |
|---|---|
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C(=O)N)S)N)C#N |
Product Overview
4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide (CAS 885460-90-2), with molecular formula C12H16N4OS and molecular weight 264.10 g/mol. IUPAC: 2-amino-1-cyano-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide.
Chemical Property Profile of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
Property Insights of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
The XLogP value of 0.86068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide. The TPSA of 104.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide. Following Lipinski's Rule of Five, 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide has 4 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 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
The CAS number of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is 885460-90-2.
What is the molecular formula of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
The molecular formula of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is C12H16N4OS.
What is the molecular weight of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
The molecular weight of 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is 264.10 g/mol.
Where can I buy 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
You can request a quote for 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-cyano-2-mercapto-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.