![N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide structure](/static/products/7841/784174-56-7.webp)
N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide
TL;DR: N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide (CAS 784174-56-7) is a chemical compound with molecular formula C21H21N5OS and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetamide
Also Known As: N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetamide
| Molecular Formula | C21H21N5OS |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.81418 |
| Topological Polar Surface Area | 93.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.14667 |
| Heavy Atoms | 28 |
| Complexity | 1151.4982 |
Chemical Identifiers
| CAS Number | 784174-56-7 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC(C)(C#N)C(C)C)C#N |
Product Overview
N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide (CAS 784174-56-7), with molecular formula C21H21N5OS and molecular weight 391.15 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetamide.
Chemical Property Profile of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide
Property Insights of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide
The XLogP value of 3.81418 indicates that N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide has 1 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 N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide?
The CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide is 784174-56-7.
What is the molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide?
The molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide is C21H21N5OS.
What is the molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide?
The molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide is 391.15 g/mol.
Where can I buy N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide?
You can request a quote for N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1,2-dimethylpropyl)-2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.