(4E)-4,5-diiodo-4-octene
TL;DR: (4E)-4,5-diiodo-4-octene (CAS 124473-20-7) is a chemical compound with molecular formula C25H32ClN3O2S2 and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-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, 4-methoxy-3-methyl-2-((propyldithio)methyl)-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno(5,6-d)imidazol-2-yl)-, chloride, Pyridinium,4-methoxy-3-methyl-2-[(propyldithio)methyl]-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-,chloride (1:1), 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one chloride, 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one,chloride
| Molecular Formula | C25H32ClN3O2S2 |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 2.58992 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.16245 |
| Heavy Atoms | 33 |
| Complexity | 1149.0704 |
Chemical Identifiers
| CAS Number | 124473-20-7 |
|---|---|
| SMILES | CCCSSCC1=[N+](C=CC(=C1C)OC)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C.[Cl-] |
Product Overview
(4E)-4,5-diiodo-4-octene (CAS 124473-20-7), with molecular formula C25H32ClN3O2S2 and molecular weight 505.16 g/mol. IUPAC: 2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one chloride.
Chemical Property Profile of (4E)-4,5-diiodo-4-octene
Property Insights of (4E)-4,5-diiodo-4-octene
The XLogP value of 2.58992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4,5-diiodo-4-octene. With a topological polar surface area (TPSA) of 58.86 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 5 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 124473-20-7.
What is the molecular formula of (4E)-4,5-diiodo-4-octene?
The molecular formula of (4E)-4,5-diiodo-4-octene is C25H32ClN3O2S2.
What is the molecular weight of (4E)-4,5-diiodo-4-octene?
The molecular weight of (4E)-4,5-diiodo-4-octene is 505.16 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.