F0653-0771
TL;DR: F0653-0771 (CAS 852167-60-3) is a chemical compound with molecular formula C22H20FN5OS and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: F0653-0771, 2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one, 2-[[(5E)-4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
| Molecular Formula | C22H20FN5OS |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 4.2692 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.13727 |
| Heavy Atoms | 30 |
| Complexity | 1193.9474 |
Chemical Identifiers
| CAS Number | 852167-60-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0771 (CAS 852167-60-3), with molecular formula C22H20FN5OS and molecular weight 421.14 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of F0653-0771
Property Insights of F0653-0771
The XLogP value of 4.2692 indicates that F0653-0771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0771. Following Lipinski's Rule of Five, F0653-0771 has 1 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 F0653-0771?
The CAS number of F0653-0771 is 852167-60-3.
What is the molecular formula of F0653-0771?
The molecular formula of F0653-0771 is C22H20FN5OS.
What is the molecular weight of F0653-0771?
The molecular weight of F0653-0771 is 421.14 g/mol.
Where can I buy F0653-0771?
You can request a quote for F0653-0771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0771?
Yes, KEHONG BIO provides custom synthesis services for F0653-0771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.