![2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide structure](/static/products/852/852034-02-7.png)
2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
TL;DR: 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CAS 852034-02-7) is a chemical compound with molecular formula C17H12F3N5O3S and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
Also Known As: 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide, 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
| Molecular Formula | C17H12F3N5O3S |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 2.8503 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0613 |
| Heavy Atoms | 29 |
| Complexity | 1091.9255 |
Chemical Identifiers
| CAS Number | 852034-02-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)F |
Product Overview
2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CAS 852034-02-7), with molecular formula C17H12F3N5O3S and molecular weight 423.06 g/mol. IUPAC: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
Property Insights of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
The XLogP value of 2.8503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide. Following Lipinski's Rule of Five, 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has 2 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 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The CAS number of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is 852034-02-7.
What is the molecular formula of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The molecular formula of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is C17H12F3N5O3S.
What is the molecular weight of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The molecular weight of 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is 423.06 g/mol.
Where can I buy 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
You can request a quote for 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)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-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.