![N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide structure](/static/products/5855/585553-45-3.webp)
N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide
TL;DR: N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide (CAS 585553-45-3) is a chemical compound with molecular formula C18H17FN6O2S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide, N-(4-acetamidophenyl)-2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio )]acetamide, N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H17FN6O2S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 2.4872 |
| Topological Polar Surface Area | 114.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1118 |
| Heavy Atoms | 28 |
| Complexity | 1005.56537 |
Chemical Identifiers
| CAS Number | 585553-45-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F |
Product Overview
N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide (CAS 585553-45-3), with molecular formula C18H17FN6O2S and molecular weight 400.11 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide
Property Insights of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide
The XLogP value of 2.4872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide. The TPSA of 114.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide. Following Lipinski's Rule of Five, N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide has 3 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-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide?
The CAS number of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide is 585553-45-3.
What is the molecular formula of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide?
The molecular formula of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide is C18H17FN6O2S.
What is the molecular weight of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide?
The molecular weight of N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide is 400.11 g/mol.
Where can I buy N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide?
You can request a quote for N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(acetylamino)phenyl]-2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.