F1259-0053
TL;DR: F1259-0053 (CAS 500267-73-2) is a chemical compound with molecular formula C34H26F2N6O2S2 and molecular weight 652.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[5-[2-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: F1259-0053, 1-(4-fluorophenyl)-2-({5-[2-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one, 1-(4-fluorophenyl)-2-[[5-[2-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 2,2'-{ethane-1,2-diylbis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(4-fluorophenyl)ethanone], 1-(4-fluorophenyl)-2-[5-(2-{5-[2-(4-fluorophenyl)-2-oxoethylthio]-4-phenyl(1,2 ,4-triazol-3-yl)}ethyl)-4-phenyl(1,2,4-triazol-3-ylthio)]ethan-1-one
| Molecular Formula | C34H26F2N6O2S2 |
|---|---|
| Molecular Weight | 652.15 g/mol |
| LogP | 6.8614 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 652.15265 |
| Heavy Atoms | 46 |
| Complexity | 1804.8593 |
Chemical Identifiers
| CAS Number | 500267-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)CCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=C(C=C6)F |
Product Overview
F1259-0053 (CAS 500267-73-2), with molecular formula C34H26F2N6O2S2 and molecular weight 652.15 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-[2-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of F1259-0053
Property Insights of F1259-0053
The XLogP value of 6.8614 indicates that F1259-0053 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 F1259-0053. Following Lipinski's Rule of Five, F1259-0053 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 F1259-0053?
The CAS number of F1259-0053 is 500267-73-2.
What is the molecular formula of F1259-0053?
The molecular formula of F1259-0053 is C34H26F2N6O2S2.
What is the molecular weight of F1259-0053?
The molecular weight of F1259-0053 is 652.15 g/mol.
Where can I buy F1259-0053?
You can request a quote for F1259-0053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1259-0053?
Yes, KEHONG BIO provides custom synthesis services for F1259-0053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.