F1044-0029
TL;DR: F1044-0029 (CAS 385374-06-1) is a chemical compound with molecular formula C33H24F2N6O2S2 and molecular weight 638.14 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-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: F1044-0029, AF-399/40805017, 1-(4-fluorophenyl)-2-[[5-[[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-fluorophenyl)-2-({5-[(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one, 2,2'-((5,5'-methylenebis(4-phenyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)
| Molecular Formula | C33H24F2N6O2S2 |
|---|---|
| Molecular Weight | 638.14 g/mol |
| LogP | 6.667 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 638.137 |
| Heavy Atoms | 45 |
| Complexity | 1789.2174 |
Chemical Identifiers
| CAS Number | 385374-06-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=C(C=C6)F |
Product Overview
F1044-0029 (CAS 385374-06-1), with molecular formula C33H24F2N6O2S2 and molecular weight 638.14 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-[[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of F1044-0029
Property Insights of F1044-0029
The XLogP value of 6.667 indicates that F1044-0029 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 F1044-0029. Following Lipinski's Rule of Five, F1044-0029 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 F1044-0029?
The CAS number of F1044-0029 is 385374-06-1.
What is the molecular formula of F1044-0029?
The molecular formula of F1044-0029 is C33H24F2N6O2S2.
What is the molecular weight of F1044-0029?
The molecular weight of F1044-0029 is 638.14 g/mol.
Where can I buy F1044-0029?
You can request a quote for F1044-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1044-0029?
Yes, KEHONG BIO provides custom synthesis services for F1044-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.