1,1'-Diethyl-4,4'-dicarbocyanine iodide
TL;DR: 1,1'-Diethyl-4,4'-dicarbocyanine iodide (CAS 18300-31-7) is a chemical compound with molecular formula C27H27IN2 and molecular weight 506.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-ethyl-4-[(2E,4E)-5-(1-ethylquinolin-1-ium-4-yl)penta-2,4-dienylidene]quinoline iodide
Also Known As: 1,1'-Diethyl-4,4'-dicarbocyanine iodide, 1,1?-Diethyl-4,4?-dicarbocyanine iodide, 1,1/'-Diethyl-4,4/'-dicarbocyanine iodide, 1 1/'-DIETHYL-4 4/'-DICARBOCYANINE IODIDE, 1-Ethyl-4-(5-(1-ethylquinolin-4(1H)-ylidene)penta-1,3-dien-1-yl)quinolin-1-ium iodide
| Molecular Formula | C27H27IN2 |
|---|---|
| Molecular Weight | 506.12 g/mol |
| LogP | 3.1578 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.1219 |
| Heavy Atoms | 30 |
| Complexity | 1138.5631 |
Chemical Identifiers
| CAS Number | 18300-31-7 |
|---|---|
| SMILES | CCN1C=C/C(=C\C=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-] |
Product Overview
1,1'-Diethyl-4,4'-dicarbocyanine iodide (CAS 18300-31-7), with molecular formula C27H27IN2 and molecular weight 506.12 g/mol. IUPAC: (4E)-1-ethyl-4-[(2E,4E)-5-(1-ethylquinolin-1-ium-4-yl)penta-2,4-dienylidene]quinoline iodide.
Chemical Property Profile of 1,1'-Diethyl-4,4'-dicarbocyanine iodide
Property Insights of 1,1'-Diethyl-4,4'-dicarbocyanine iodide
The XLogP value of 3.1578 indicates that 1,1'-Diethyl-4,4'-dicarbocyanine iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.12 Ų, 1,1'-Diethyl-4,4'-dicarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Diethyl-4,4'-dicarbocyanine iodide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Diethyl-4,4'-dicarbocyanine iodide?
The CAS number of 1,1'-Diethyl-4,4'-dicarbocyanine iodide is 18300-31-7.
What is the molecular formula of 1,1'-Diethyl-4,4'-dicarbocyanine iodide?
The molecular formula of 1,1'-Diethyl-4,4'-dicarbocyanine iodide is C27H27IN2.
What is the molecular weight of 1,1'-Diethyl-4,4'-dicarbocyanine iodide?
The molecular weight of 1,1'-Diethyl-4,4'-dicarbocyanine iodide is 506.12 g/mol.
Where can I buy 1,1'-Diethyl-4,4'-dicarbocyanine iodide?
You can request a quote for 1,1'-Diethyl-4,4'-dicarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Diethyl-4,4'-dicarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Diethyl-4,4'-dicarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.