C22H17BrFN5OS
TL;DR: C22H17BrFN5OS (CAS 766534-85-4) is a chemical compound with molecular formula C22H17BrFN5OS and molecular weight 497.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-2-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-2-fluorophenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromo-2-fluorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2-fluorophenyl)-2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3 -ylthio)]acetamide
| Molecular Formula | C22H17BrFN5OS |
|---|---|
| Molecular Weight | 497.03 g/mol |
| LogP | 5.27012 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.03214 |
| Heavy Atoms | 31 |
| Complexity | 1214.5657 |
Chemical Identifiers
| CAS Number | 766534-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Br)F)C4=CC=NC=C4 |
Product Overview
C22H17BrFN5OS (CAS 766534-85-4), with molecular formula C22H17BrFN5OS and molecular weight 497.03 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C22H17BrFN5OS
Property Insights of C22H17BrFN5OS
The XLogP value of 5.27012 indicates that C22H17BrFN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H17BrFN5OS. Following Lipinski's Rule of Five, C22H17BrFN5OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H17BrFN5OS?
The CAS number of C22H17BrFN5OS is 766534-85-4.
What is the molecular formula of C22H17BrFN5OS?
The molecular formula of C22H17BrFN5OS is C22H17BrFN5OS.
What is the molecular weight of C22H17BrFN5OS?
The molecular weight of C22H17BrFN5OS is 497.03 g/mol.
Where can I buy C22H17BrFN5OS?
You can request a quote for C22H17BrFN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17BrFN5OS?
Yes, KEHONG BIO provides custom synthesis services for C22H17BrFN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.