![N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/7498/749867-95-6.webp)
N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 749867-95-6) is a chemical compound with molecular formula C23H32FN5O2S and molecular weight 461.23 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-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H32FN5O2S |
|---|---|
| Molecular Weight | 461.23 g/mol |
| LogP | 4.72308 |
| Topological Polar Surface Area | 92.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 461.22607 |
| Heavy Atoms | 32 |
| Complexity | 927.3508 |
Chemical Identifiers
| CAS Number | 749867-95-6 |
|---|---|
| SMILES | CCCCCCN1C(=NN=C1SCC(=O)NC(C)(C#N)C(C)C)COC2=CC=CC=C2F |
Product Overview
N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 749867-95-6), with molecular formula C23H32FN5O2S and molecular weight 461.23 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 4.72308 indicates that N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)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 N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 749867-95-6.
What is the molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C23H32FN5O2S.
What is the molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 461.23 g/mol.
Where can I buy N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-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-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1,2-dimethylpropyl)-2-({5-[(2-fluorophenoxy)methyl]-4-hexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.