C21H16ClFN6OS
TL;DR: C21H16ClFN6OS (CAS 899405-56-2) is a chemical compound with molecular formula C21H16ClFN6OS and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-fluorophenyl)-2-((5-(pyrazin-2-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-[4-(4-methylphenyl)-5-pyrazin-2-yl(1,2,4-triazol -3-ylthio)]acetamide
| Molecular Formula | C21H16ClFN6OS |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 4.55602 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.07788 |
| Heavy Atoms | 31 |
| Complexity | 1216.5344 |
Chemical Identifiers
| CAS Number | 899405-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=NC=CN=C4 |
Product Overview
C21H16ClFN6OS (CAS 899405-56-2), with molecular formula C21H16ClFN6OS and molecular weight 454.08 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C21H16ClFN6OS
Property Insights of C21H16ClFN6OS
The XLogP value of 4.55602 indicates that C21H16ClFN6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H16ClFN6OS. Following Lipinski's Rule of Five, C21H16ClFN6OS has 1 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 C21H16ClFN6OS?
The CAS number of C21H16ClFN6OS is 899405-56-2.
What is the molecular formula of C21H16ClFN6OS?
The molecular formula of C21H16ClFN6OS is C21H16ClFN6OS.
What is the molecular weight of C21H16ClFN6OS?
The molecular weight of C21H16ClFN6OS is 454.08 g/mol.
Where can I buy C21H16ClFN6OS?
You can request a quote for C21H16ClFN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16ClFN6OS?
Yes, KEHONG BIO provides custom synthesis services for C21H16ClFN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.