C17H15ClFN5OS
TL;DR: C17H15ClFN5OS (CAS 842959-08-4) is a chemical compound with molecular formula C17H15ClFN5OS and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3-fluoro-4-methylphe nyl)acetamide, 2-((4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide, 2-{[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
| Molecular Formula | C17H15ClFN5OS |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 3.49062 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.067 |
| Heavy Atoms | 26 |
| Complexity | 962.07635 |
Chemical Identifiers
| CAS Number | 842959-08-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl)F |
Product Overview
C17H15ClFN5OS (CAS 842959-08-4), with molecular formula C17H15ClFN5OS and molecular weight 391.07 g/mol. IUPAC: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of C17H15ClFN5OS
Property Insights of C17H15ClFN5OS
The XLogP value of 3.49062 indicates that C17H15ClFN5OS 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 C17H15ClFN5OS. Following Lipinski's Rule of Five, C17H15ClFN5OS 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 C17H15ClFN5OS?
The CAS number of C17H15ClFN5OS is 842959-08-4.
What is the molecular formula of C17H15ClFN5OS?
The molecular formula of C17H15ClFN5OS is C17H15ClFN5OS.
What is the molecular weight of C17H15ClFN5OS?
The molecular weight of C17H15ClFN5OS is 391.07 g/mol.
Where can I buy C17H15ClFN5OS?
You can request a quote for C17H15ClFN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H15ClFN5OS?
Yes, KEHONG BIO provides custom synthesis services for C17H15ClFN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.