F0648-0686
TL;DR: F0648-0686 (CAS 892472-31-0) is a chemical compound with molecular formula C22H18FN5O2S and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0686, (E)-6-((5-(cinnamylthio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-[[5-cinnamylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-fluorophenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H18FN5O2S |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 3.1793 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.11652 |
| Heavy Atoms | 31 |
| Complexity | 1281.9883 |
Chemical Identifiers
| CAS Number | 892472-31-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0686 (CAS 892472-31-0), with molecular formula C22H18FN5O2S and molecular weight 435.12 g/mol. IUPAC: 6-[[4-(4-fluorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0686
Property Insights of F0648-0686
The XLogP value of 3.1793 indicates that F0648-0686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0686. Following Lipinski's Rule of Five, F0648-0686 has 2 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 F0648-0686?
The CAS number of F0648-0686 is 892472-31-0.
What is the molecular formula of F0648-0686?
The molecular formula of F0648-0686 is C22H18FN5O2S.
What is the molecular weight of F0648-0686?
The molecular weight of F0648-0686 is 435.12 g/mol.
Where can I buy F0648-0686?
You can request a quote for F0648-0686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0686?
Yes, KEHONG BIO provides custom synthesis services for F0648-0686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.