F1044-0055
TL;DR: F1044-0055 (CAS 452089-31-5) is a chemical compound with molecular formula C39H32N8O4S2 and molecular weight 740.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[5-[[5-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione
Also Known As: F1044-0055, 2,2'-(((5,5'-methylenebis(4-phenyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(propane-3,1-diyl))bis(isoindoline-1,3-dione), 2-[3-({5-[(5-{[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione, 2-[3-[[5-[[5-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione, 2,2'-{methanediylbis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediylpropane-3,1-diyl]}bis(1H-isoindole-1,3(2H)-dione)
| Molecular Formula | C39H32N8O4S2 |
|---|---|
| Molecular Weight | 740.20 g/mol |
| LogP | 5.9956 |
| Topological Polar Surface Area | 136.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 740.1988 |
| Heavy Atoms | 53 |
| Complexity | 2110.8606 |
Chemical Identifiers
| CAS Number | 452089-31-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC=C4C3=O)CC5=NN=C(N5C6=CC=CC=C6)SCCCN7C(=O)C8=CC=CC=C8C7=O |
Product Overview
F1044-0055 (CAS 452089-31-5), with molecular formula C39H32N8O4S2 and molecular weight 740.20 g/mol. IUPAC: 2-[3-[[5-[[5-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione.
Chemical Property Profile of F1044-0055
Property Insights of F1044-0055
The XLogP value of 5.9956 indicates that F1044-0055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F1044-0055. Following Lipinski's Rule of Five, F1044-0055 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1044-0055?
The CAS number of F1044-0055 is 452089-31-5.
What is the molecular formula of F1044-0055?
The molecular formula of F1044-0055 is C39H32N8O4S2.
What is the molecular weight of F1044-0055?
The molecular weight of F1044-0055 is 740.20 g/mol.
Where can I buy F1044-0055?
You can request a quote for F1044-0055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1044-0055?
Yes, KEHONG BIO provides custom synthesis services for F1044-0055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.