![5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide structure](/static/products/796/796067-45-3.png)
5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
TL;DR: 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide (CAS 796067-45-3) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-4-methyl-N-phenyl-2-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
Also Known As: 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide, 5-cyano-4-mercapto-2-methyl-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide, 1-cyano-4-methyl-N-phenyl-2-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide, 7-cyano-10-methyl-N-phenyl-8-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-11-carboxamide
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 4.11778 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 752.56665 |
Chemical Identifiers
| CAS Number | 796067-45-3 |
|---|---|
| SMILES | CC1=C(C2(CCCCC2)C(=C(N1)S)C#N)C(=O)NC3=CC=CC=C3 |
Product Overview
5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide (CAS 796067-45-3), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: 1-cyano-4-methyl-N-phenyl-2-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide.
Chemical Property Profile of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
Property Insights of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
The XLogP value of 4.11778 indicates that 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide. Following Lipinski's Rule of Five, 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide has 3 hydrogen bond donor(s) and 4 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 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
The CAS number of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is 796067-45-3.
What is the molecular formula of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
The molecular formula of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is C19H21N3OS.
What is the molecular weight of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
The molecular weight of 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide is 339.14 g/mol.
Where can I buy 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
You can request a quote for 5-cyano-2-methyl-N-phenyl-4-sulfanyl-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 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.