![2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide structure](/static/products/7568/756850-40-5.webp)
2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide
TL;DR: 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide (CAS 756850-40-5) is a chemical compound with molecular formula C19H34N6OS and molecular weight 394.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
Also Known As: 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide, 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
| Molecular Formula | C19H34N6OS |
|---|---|
| Molecular Weight | 394.25 g/mol |
| LogP | 3.23748 |
| Topological Polar Surface Area | 86.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 394.2515 |
| Heavy Atoms | 27 |
| Complexity | 651.11536 |
Chemical Identifiers
| CAS Number | 756850-40-5 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)NC(C)(C#N)C(C)C)C(CC)N(C)C |
Product Overview
2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide (CAS 756850-40-5), with molecular formula C19H34N6OS and molecular weight 394.25 g/mol. IUPAC: 2-[[4-butyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide.
Chemical Property Profile of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide
Property Insights of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide
The XLogP value of 3.23748 indicates that 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide. Following Lipinski's Rule of Five, 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide has 1 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 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide?
The CAS number of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide is 756850-40-5.
What is the molecular formula of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide?
The molecular formula of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide is C19H34N6OS.
What is the molecular weight of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide?
The molecular weight of 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide is 394.25 g/mol.
Where can I buy 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide?
You can request a quote for 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1-cyano-1,2-dimethylpropyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.