F0653-0857
TL;DR: F0653-0857 (CAS 852167-77-2) is a chemical compound with molecular formula C21H17FN4O2S and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
Also Known As: F0653-0857, 3-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)pentane-2,4-dione, 3-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentane-2,4-dione, 3-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione, 3-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione
| Molecular Formula | C21H17FN4O2S |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.1934 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10562 |
| Heavy Atoms | 29 |
| Complexity | 1199.1371 |
Chemical Identifiers
| CAS Number | 852167-77-2 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0857 (CAS 852167-77-2), with molecular formula C21H17FN4O2S and molecular weight 408.11 g/mol. IUPAC: 3-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione.
Chemical Property Profile of F0653-0857
Property Insights of F0653-0857
The XLogP value of 4.1934 indicates that F0653-0857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0857. Following Lipinski's Rule of Five, F0653-0857 has 1 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 F0653-0857?
The CAS number of F0653-0857 is 852167-77-2.
What is the molecular formula of F0653-0857?
The molecular formula of F0653-0857 is C21H17FN4O2S.
What is the molecular weight of F0653-0857?
The molecular weight of F0653-0857 is 408.11 g/mol.
Where can I buy F0653-0857?
You can request a quote for F0653-0857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0857?
Yes, KEHONG BIO provides custom synthesis services for F0653-0857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.