F0653-0852
TL;DR: F0653-0852 (CAS 852167-75-0) is a chemical compound with molecular formula C23H21FN4O4S and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate
Also Known As: F0653-0852, diethyl 2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)malonate, 1,3-diethyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanedioate, Diethyl 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate, diethyl [4-(p-fluorophenyl)-5-(3-indolyl)-4H-1,2,4-triazol-3-ylthio]malonate
| Molecular Formula | C23H21FN4O4S |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 4.1416 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.12674 |
| Heavy Atoms | 33 |
| Complexity | 1267.3611 |
Chemical Identifiers
| CAS Number | 852167-75-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0852 (CAS 852167-75-0), with molecular formula C23H21FN4O4S and molecular weight 468.13 g/mol. IUPAC: diethyl 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate.
Chemical Property Profile of F0653-0852
Property Insights of F0653-0852
The XLogP value of 4.1416 indicates that F0653-0852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0852. Following Lipinski's Rule of Five, F0653-0852 has 1 hydrogen bond donor(s) and 7 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 F0653-0852?
The CAS number of F0653-0852 is 852167-75-0.
What is the molecular formula of F0653-0852?
The molecular formula of F0653-0852 is C23H21FN4O4S.
What is the molecular weight of F0653-0852?
The molecular weight of F0653-0852 is 468.13 g/mol.
Where can I buy F0653-0852?
You can request a quote for F0653-0852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0852?
Yes, KEHONG BIO provides custom synthesis services for F0653-0852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.