![8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile structure](/static/products/340/340812-81-9.png)
8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
TL;DR: 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile (CAS 340812-81-9) is a chemical compound with molecular formula C18H19N5S and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-benzyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile, 2-amino-9-benzyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
| Molecular Formula | C18H19N5S |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 2.23086 |
| Topological Polar Surface Area | 88.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.1361 |
| Heavy Atoms | 24 |
| Complexity | 735.86743 |
Chemical Identifiers
| CAS Number | 340812-81-9 |
|---|---|
| SMILES | C1CN(CCC12C(=C(NC(=C2C#N)S)N)C#N)CC3=CC=CC=C3 |
Product Overview
8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile (CAS 340812-81-9), with molecular formula C18H19N5S and molecular weight 337.14 g/mol. IUPAC: 2-amino-9-benzyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile.
Chemical Property Profile of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
Property Insights of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
The XLogP value of 2.23086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile. The TPSA of 88.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile. Following Lipinski's Rule of Five, 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile has 3 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-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
The CAS number of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile is 340812-81-9.
What is the molecular formula of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
The molecular formula of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile is C18H19N5S.
What is the molecular weight of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
The molecular weight of 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile is 337.14 g/mol.
Where can I buy 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
You can request a quote for 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[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-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-amino-3-benzyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.