}-N-(3,4-difluoroph enyl)acetamide structure](/static/products/5779/577963-26-9.webp)
2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide
TL;DR: 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide (CAS 577963-26-9) is a chemical compound with molecular formula C20H21F2N5OS and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide, 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide, 2-{[4-amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C20H21F2N5OS |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 3.9654 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1435 |
| Heavy Atoms | 29 |
| Complexity | 1028.3411 |
Chemical Identifiers
| CAS Number | 577963-26-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)F)F |
Product Overview
2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide (CAS 577963-26-9), with molecular formula C20H21F2N5OS and molecular weight 417.14 g/mol. IUPAC: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide
Property Insights of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide
The XLogP value of 3.9654 indicates that 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide. Following Lipinski's Rule of Five, 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide has 2 hydrogen bond donor(s) and 5 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-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide?
The CAS number of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide is 577963-26-9.
What is the molecular formula of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide?
The molecular formula of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide is C20H21F2N5OS.
What is the molecular weight of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide?
The molecular weight of 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide is 417.14 g/mol.
Where can I buy 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide?
You can request a quote for 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)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-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3,4-difluoroph enyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.