(4E)-4,5-diiodo-4-octene
TL;DR: (4E)-4,5-diiodo-4-octene (CAS 124474-48-2) is a chemical compound with molecular formula C22H18Cl2F3N3OS2 and molecular weight 531.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride
Also Known As: (4E)-4,5-diiodo-4-octene, Pyridinium, 2-(((2-chlorophenyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, Pyridinium,2-[[(2-chlorophenyl)dithio]methyl]-4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-,chloride (1:1), [2-{[(2-Chlorophenyl)disulfanyl]methyl}-3-methyl-1-[6-(trifluoromethyl)-1H-1,3-benzimidazol-2-yl]pyridin-4(1H)-ylidene](methyl)oxidanium chloride, [2-{[(2-Chlorophenyl)disulfanyl]methyl}-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-4(1H)-ylidene](methyl)oxidanium chloride
| Molecular Formula | C22H18Cl2F3N3OS2 |
|---|---|
| Molecular Weight | 531.02 g/mol |
| LogP | 3.77332 |
| Topological Polar Surface Area | 41.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.02203 |
| Heavy Atoms | 33 |
| Complexity | 1281.7089 |
Chemical Identifiers
| CAS Number | 124474-48-2 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1CSSC2=CC=CC=C2Cl)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F)OC.[Cl-] |
Product Overview
(4E)-4,5-diiodo-4-octene (CAS 124474-48-2), with molecular formula C22H18Cl2F3N3OS2 and molecular weight 531.02 g/mol. IUPAC: 2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride.
Chemical Property Profile of (4E)-4,5-diiodo-4-octene
Property Insights of (4E)-4,5-diiodo-4-octene
The XLogP value of 3.77332 indicates that (4E)-4,5-diiodo-4-octene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.79 Ų, (4E)-4,5-diiodo-4-octene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4,5-diiodo-4-octene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 124474-48-2.
What is the molecular formula of (4E)-4,5-diiodo-4-octene?
The molecular formula of (4E)-4,5-diiodo-4-octene is C22H18Cl2F3N3OS2.
What is the molecular weight of (4E)-4,5-diiodo-4-octene?
The molecular weight of (4E)-4,5-diiodo-4-octene is 531.02 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4,5-diiodo-4-octene?
Yes, KEHONG BIO 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.