F1044-0062
TL;DR: F1044-0062 (CAS 452089-38-2) is a chemical compound with molecular formula C26H22F2N6O2S2 and molecular weight 552.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[5-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: F1044-0062, 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone), 1-(4-fluorophenyl)-2-{[5-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(4-fluorophenyl)-2-[[5-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-fluorophenyl)-2-(5-{5-[2-(4-fluorophenyl)-2-oxoethylthio]-4-prop-2-enyl(1 ,2,4-triazol-3-yl)}-4-prop-2-enyl(1,2,4-triazol-3-ylthio))ethan-1-one
| Molecular Formula | C26H22F2N6O2S2 |
|---|---|
| Molecular Weight | 552.12 g/mol |
| LogP | 5.1368 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 552.1214 |
| Heavy Atoms | 38 |
| Complexity | 1354.3872 |
Chemical Identifiers
| CAS Number | 452089-38-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)F |
Product Overview
F1044-0062 (CAS 452089-38-2), with molecular formula C26H22F2N6O2S2 and molecular weight 552.12 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of F1044-0062
Property Insights of F1044-0062
The XLogP value of 5.1368 indicates that F1044-0062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for F1044-0062. Following Lipinski's Rule of Five, F1044-0062 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1044-0062?
The CAS number of F1044-0062 is 452089-38-2.
What is the molecular formula of F1044-0062?
The molecular formula of F1044-0062 is C26H22F2N6O2S2.
What is the molecular weight of F1044-0062?
The molecular weight of F1044-0062 is 552.12 g/mol.
Where can I buy F1044-0062?
You can request a quote for F1044-0062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1044-0062?
Yes, KEHONG BIO provides custom synthesis services for F1044-0062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.