![N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/853/853321-56-9.png)
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 853321-56-9) is a chemical compound with molecular formula C22H21FN4O4S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[5-(4-fluorophenyl)-4-(oxolan-2-ylmethy l)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H21FN4O4S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 3.7227 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.12674 |
| Heavy Atoms | 32 |
| Complexity | 1115.6187 |
Chemical Identifiers
| CAS Number | 853321-56-9 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F |
Product Overview
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 853321-56-9), with molecular formula C22H21FN4O4S and molecular weight 456.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.7227 indicates that N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-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 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 7 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-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 853321-56-9.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C22H21FN4O4S.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 456.13 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-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-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-fluorophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.