(4E)-4,5-diiodo-4-octene
TL;DR: (4E)-4,5-diiodo-4-octene (CAS 124473-39-8) is a chemical compound with molecular formula C28H29Cl2N3O2S2 and molecular weight 573.10785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[[(3-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one chloride
Also Known As: (4E)-4,5-diiodo-4-octene, Pyridinium, 2-(((3-chlorophenyl)dithio)methyl)-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, Pyridinium,2-[[(3-chlorophenyl)dithio]methyl]-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-,chloride (1:1), [2-{[(3-Chlorophenyl)disulfanyl]methyl}-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-1,5,6,7-tetrahydroindeno[5,6-d]imidazol-2-yl)pyridin-4(1H)-ylidene](methyl)oxidanium chloride, 2-[2-[[(3-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one chloride
Technical Specifications
| Molecular Formula | C28H29Cl2N3O2S2 |
| Molecular Weight | 573.10785 g/mol |
| XLogP | 3.89242 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 573.10785 Da |
| Heavy Atoms | 37 |
| Complexity | 814.0 |
| SMILES | CC1=C(C=C[N+](=C1CSSC2=CC(=CC=C2)Cl)C3=NC4=C(N3)C=C5C(=C4)C(C(=O)C5(C)C)(C)C)OC.[Cl-] |
| InChIKey | BIIWSJODXLMNCZ-UHFFFAOYSA-M |
Chemical Property Profile of (4E)-4,5-diiodo-4-octene
Property Insights of (4E)-4,5-diiodo-4-octene
The XLogP value of 3.89242 indicates that (4E)-4,5-diiodo-4-octene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4,5-diiodo-4-octene. Following Lipinski's Rule of Five, (4E)-4,5-diiodo-4-octene has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (4E)-4,5-diiodo-4-octene?
The CAS number of (4E)-4,5-diiodo-4-octene is 124473-39-8.
What is the molecular formula of (4E)-4,5-diiodo-4-octene?
The molecular formula of (4E)-4,5-diiodo-4-octene is C28H29Cl2N3O2S2.
What is the molecular weight of (4E)-4,5-diiodo-4-octene?
The molecular weight of (4E)-4,5-diiodo-4-octene is 573.10785 g/mol.
Where can I buy (4E)-4,5-diiodo-4-octene?
You can request a quote for (4E)-4,5-diiodo-4-octene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4E)-4,5-diiodo-4-octene?
Yes, CoreyChem provides custom synthesis services for (4E)-4,5-diiodo-4-octene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.