![8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile structure](/static/products/891/891465-98-8.png)
8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
TL;DR: 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile (CAS 891465-98-8) is a chemical compound with molecular formula C18H17N5OS and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diamino-9-benzoyl-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile, 2,4-diamino-9-(phenylcarbonyl)-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dica rbonitrile, 2,4-diamino-9-(phenylcarbonyl)-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2,4-diamino-9-benzoyl-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
| Molecular Formula | C18H17N5OS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 2.04356 |
| Topological Polar Surface Area | 119.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.1154 |
| Heavy Atoms | 25 |
| Complexity | 813.6929 |
Chemical Identifiers
| CAS Number | 891465-98-8 |
|---|---|
| SMILES | C1CN(CCC12C(=C(SC(=C2C#N)N)N)C#N)C(=O)C3=CC=CC=C3 |
Product Overview
8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile (CAS 891465-98-8), with molecular formula C18H17N5OS and molecular weight 351.12 g/mol. IUPAC: 2,4-diamino-9-benzoyl-3-thia-9-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
Property Insights of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
The XLogP value of 2.04356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile. The TPSA of 119.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile. Following Lipinski's Rule of Five, 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-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 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
The CAS number of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile is 891465-98-8.
What is the molecular formula of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
The molecular formula of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile is C18H17N5OS.
What is the molecular weight of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
The molecular weight of 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile is 351.12 g/mol.
Where can I buy 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
You can request a quote for 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8,10-diamino-3-benzoyl-9-thia-3-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.