C17H15BrFN5OS
TL;DR: C17H15BrFN5OS (CAS 577694-00-9) is a chemical compound with molecular formula C17H15BrFN5OS and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide
Also Known As: 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4-methylphenyl)acetamide, 2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4-methylphenyl)acetamide, 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide, 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide, 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4-methylphen yl)acetamide
| Molecular Formula | C17H15BrFN5OS |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 3.59972 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.01648 |
| Heavy Atoms | 26 |
| Complexity | 962.07635 |
Chemical Identifiers
| CAS Number | 577694-00-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F)Br |
Product Overview
C17H15BrFN5OS (CAS 577694-00-9), with molecular formula C17H15BrFN5OS and molecular weight 435.02 g/mol. IUPAC: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide.
Chemical Property Profile of C17H15BrFN5OS
Property Insights of C17H15BrFN5OS
The XLogP value of 3.59972 indicates that C17H15BrFN5OS 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 C17H15BrFN5OS. Following Lipinski's Rule of Five, C17H15BrFN5OS 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 C17H15BrFN5OS?
The CAS number of C17H15BrFN5OS is 577694-00-9.
What is the molecular formula of C17H15BrFN5OS?
The molecular formula of C17H15BrFN5OS is C17H15BrFN5OS.
What is the molecular weight of C17H15BrFN5OS?
The molecular weight of C17H15BrFN5OS is 435.02 g/mol.
Where can I buy C17H15BrFN5OS?
You can request a quote for C17H15BrFN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H15BrFN5OS?
Yes, KEHONG BIO provides custom synthesis services for C17H15BrFN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.