F1044-0046
TL;DR: F1044-0046 (CAS 452089-30-4) is a chemical compound with molecular formula C32H30N8O4S2 and molecular weight 654.18 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-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione
Also Known As: F1044-0046, 2,2'-(((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-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-(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}propyl)-2,3-dihydro-1H-isoindole-1,3-dione, 2-[3-[[5-[5-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione, 2,2'-{[4,4'-di(prop-2-en-1-yl)-4H,4'H-3,3'-bi-1,2,4-triazole-5,5'-diyl]bis(sulfanediylpropane-3,1-diyl)}bis(1H-isoindole-1,3(2H)-dione)
| Molecular Formula | C32H30N8O4S2 |
|---|---|
| Molecular Weight | 654.18 g/mol |
| LogP | 4.4654 |
| Topological Polar Surface Area | 136.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 654.18317 |
| Heavy Atoms | 46 |
| Complexity | 1662.006 |
Chemical Identifiers
| CAS Number | 452089-30-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NN=C(N4CC=C)SCCCN5C(=O)C6=CC=CC=C6C5=O |
Product Overview
F1044-0046 (CAS 452089-30-4), with molecular formula C32H30N8O4S2 and molecular weight 654.18 g/mol. IUPAC: 2-[3-[[5-[5-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propyl]isoindole-1,3-dione.
Chemical Property Profile of F1044-0046
Property Insights of F1044-0046
The XLogP value of 4.4654 indicates that F1044-0046 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 F1044-0046. Following Lipinski's Rule of Five, F1044-0046 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 F1044-0046?
The CAS number of F1044-0046 is 452089-30-4.
What is the molecular formula of F1044-0046?
The molecular formula of F1044-0046 is C32H30N8O4S2.
What is the molecular weight of F1044-0046?
The molecular weight of F1044-0046 is 654.18 g/mol.
Where can I buy F1044-0046?
You can request a quote for F1044-0046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1044-0046?
Yes, KEHONG BIO provides custom synthesis services for F1044-0046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.