F0653-0178
TL;DR: F0653-0178 (CAS 852143-93-2) is a chemical compound with molecular formula C21H18F3N5OS and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: F0653-0178, 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[[(5Z)-4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H18F3N5OS |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 5.1959 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1184 |
| Heavy Atoms | 31 |
| Complexity | 1231.2114 |
Chemical Identifiers
| CAS Number | 852143-93-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0178 (CAS 852143-93-2), with molecular formula C21H18F3N5OS and molecular weight 445.12 g/mol. IUPAC: 2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F0653-0178
Property Insights of F0653-0178
The XLogP value of 5.1959 indicates that F0653-0178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0178. Following Lipinski's Rule of Five, F0653-0178 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0653-0178?
The CAS number of F0653-0178 is 852143-93-2.
What is the molecular formula of F0653-0178?
The molecular formula of F0653-0178 is C21H18F3N5OS.
What is the molecular weight of F0653-0178?
The molecular weight of F0653-0178 is 445.12 g/mol.
Where can I buy F0653-0178?
You can request a quote for F0653-0178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0178?
Yes, KEHONG BIO provides custom synthesis services for F0653-0178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.