C21H24FN5OS
TL;DR: C21H24FN5OS (CAS 843617-99-2) is a chemical compound with molecular formula C21H24FN5OS and molecular weight 413.17 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-fluoro-4-methylphenyl)acetamide
Also Known As: 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide, 2-{[4-amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, 2-{4-amino-5-[4-(tert-butyl)phenyl](1,2,4-triazol-3-ylthio)}-N-(3-fluoro-4-met hylphenyl)acetamide, C21H24FN5OS
| Molecular Formula | C21H24FN5OS |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 4.13472 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.16855 |
| Heavy Atoms | 29 |
| Complexity | 1024.541 |
Chemical Identifiers
| CAS Number | 843617-99-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)F |
Product Overview
C21H24FN5OS (CAS 843617-99-2), with molecular formula C21H24FN5OS and molecular weight 413.17 g/mol. IUPAC: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of C21H24FN5OS
Property Insights of C21H24FN5OS
The XLogP value of 4.13472 indicates that C21H24FN5OS 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 C21H24FN5OS. Following Lipinski's Rule of Five, C21H24FN5OS 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 C21H24FN5OS?
The CAS number of C21H24FN5OS is 843617-99-2.
What is the molecular formula of C21H24FN5OS?
The molecular formula of C21H24FN5OS is C21H24FN5OS.
What is the molecular weight of C21H24FN5OS?
The molecular weight of C21H24FN5OS is 413.17 g/mol.
Where can I buy C21H24FN5OS?
You can request a quote for C21H24FN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H24FN5OS?
Yes, KEHONG BIO provides custom synthesis services for C21H24FN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.