![N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/848/848906-91-2.webp)
N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 848906-91-2) is a chemical compound with molecular formula C13H21N5OS and molecular weight 295.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-cyano-3-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Technical Specifications
| Molecular Formula | C13H21N5OS |
| Molecular Weight | 295.14667 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.14667 Da |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
| SMILES | CC(C)C(C)(C#N)NC(=O)CSC1=NN=CN1C(C)C |
| InChIKey | CAHZNCBKZIQSSD-UHFFFAOYSA-N |
Product Description
Applications: AC1NJDA5 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NJDA5 (CAS 848906-91-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1NJDA5 (CAS 848906-91-2) is a fine chemical with the molecular formula C13H21N5OS and a molecular weight of 295.15 g/mol. It is also known as N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and N-(2-cyano-3-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-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
What is the CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 848906-91-2.
What is the molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C13H21N5OS.
What is the molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 295.14667 g/mol.
What are the applications of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
AC1NJDA5 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NJDA5 (CAS 848906-91-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, CoreyChem provides custom synthesis services for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.