(4E)-4,5-diiodo-4-octene
TL;DR: (4E)-4,5-diiodo-4-octene (CAS 124473-36-5) is a chemical compound with molecular formula C25H31ClN4O4S2 and molecular weight 550.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid chloride
Also Known As: (4E)-4,5-diiodo-4-octene, Pyridinium, 2-(((2-amino-2-carboxyethyl)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, (R)-, 2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid chloride, 2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid,chloride, Pyridinium,2-[[(2-amino-2-carboxyethyl)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, (R)- (9CI)
| Molecular Formula | C25H31ClN4O4S2 |
|---|---|
| Molecular Weight | 550.15 g/mol |
| LogP | 0.59182 |
| Topological Polar Surface Area | 122.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.1475 |
| Heavy Atoms | 36 |
| Complexity | 1284.3307 |
Chemical Identifiers
| CAS Number | 124473-36-5 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1CSSCC(C(=O)O)N)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)OC.[Cl-] |
Product Overview
(4E)-4,5-diiodo-4-octene (CAS 124473-36-5), with molecular formula C25H31ClN4O4S2 and molecular weight 550.15 g/mol. IUPAC: 2-amino-3-[[4-methoxy-3-methyl-1-(5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazol-2-yl)pyridin-1-ium-2-yl]methyldisulfanyl]propanoic acid chloride.
Chemical Property Profile of (4E)-4,5-diiodo-4-octene
Property Insights of (4E)-4,5-diiodo-4-octene
The XLogP value of 0.59182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4,5-diiodo-4-octene. The TPSA of 122.18 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 3 hydrogen bond donor(s) and 7 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 124473-36-5.
What is the molecular formula of (4E)-4,5-diiodo-4-octene?
The molecular formula of (4E)-4,5-diiodo-4-octene is C25H31ClN4O4S2.
What is the molecular weight of (4E)-4,5-diiodo-4-octene?
The molecular weight of (4E)-4,5-diiodo-4-octene is 550.15 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.