F0653-0056
TL;DR: F0653-0056 (CAS 852143-01-2) is a chemical compound with molecular formula C20H16F3N5OS and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Also Known As: F0653-0056, 2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide, 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide, 2-[[(5Z)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H16F3N5OS |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 4.713 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.10275 |
| Heavy Atoms | 30 |
| Complexity | 1197.3517 |
Chemical Identifiers
| CAS Number | 852143-01-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0056 (CAS 852143-01-2), with molecular formula C20H16F3N5OS and molecular weight 431.10 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F0653-0056
Property Insights of F0653-0056
The XLogP value of 4.713 indicates that F0653-0056 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 F0653-0056. Following Lipinski's Rule of Five, F0653-0056 has 2 hydrogen bond donor(s) and 4 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 F0653-0056?
The CAS number of F0653-0056 is 852143-01-2.
What is the molecular formula of F0653-0056?
The molecular formula of F0653-0056 is C20H16F3N5OS.
What is the molecular weight of F0653-0056?
The molecular weight of F0653-0056 is 431.10 g/mol.
Where can I buy F0653-0056?
You can request a quote for F0653-0056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0056?
Yes, KEHONG BIO provides custom synthesis services for F0653-0056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.