![9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile structure](/static/products/445/445391-32-2.png)
9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
TL;DR: 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 445391-32-2) is a chemical compound with molecular formula C13H15N5OS and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: BAS 06900758, 9-acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, AM-807/41063019, 3-acetyl-8,10-diamino-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile, 9-Acetyl-2,4-diamino-3-thia-9-aza-spiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
| Molecular Formula | C13H15N5OS |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 0.74966 |
| Topological Polar Surface Area | 119.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.09973 |
| Heavy Atoms | 20 |
| Complexity | 561.2315 |
Chemical Identifiers
| CAS Number | 445391-32-2 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)C(=C(SC(=C2C#N)N)N)C#N |
Product Overview
9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CAS 445391-32-2), with molecular formula C13H15N5OS and molecular weight 289.10 g/mol. IUPAC: 9-acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Property Insights of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
The XLogP value of 0.74966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile. The TPSA of 119.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile. Following Lipinski's Rule of Five, 9-Acetyl-2,4-diamino-3-thia-9-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 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The CAS number of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 445391-32-2.
What is the molecular formula of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular formula of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is C13H15N5OS.
What is the molecular weight of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
The molecular weight of 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is 289.10 g/mol.
Where can I buy 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
You can request a quote for 9-Acetyl-2,4-diamino-3-thia-9-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 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Acetyl-2,4-diamino-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.