DiOC6(3) iodide
TL;DR: DiOC6(3) iodide (CAS 53213-82-4) is a chemical compound with molecular formula C29H37IN2O2 and molecular weight 572.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
DiOC6(3) iodide
3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
Also Known As: DiOC6(3) iodide, DiOC6, 3,3'-Dihexyloxacarbocyanine iodide, 3,3(acute)-Dihexyloxacarbocyanine iodide, 3,3'-DIHEXYLOXACARBOCYANINEIODIDE
| Molecular Formula | C29H37IN2O2 |
|---|---|
| Molecular Weight | 572.19 g/mol |
| LogP | 4.64 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.19 |
| Heavy Atoms | 34 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 53213-82-4 |
|---|---|
| SMILES | CCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCC.[I-] |
| InChIKey | XVLXYDXJEKLXHN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DiOC6(3) iodide (CAS 53213-82-4), with molecular formula C29H37IN2O2 and molecular weight 572.19 g/mol. IUPAC: 3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of DiOC6(3) iodide
Property Insights of DiOC6(3) iodide
The XLogP value of 4.64 indicates that DiOC6(3) iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, DiOC6(3) iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DiOC6(3) iodide has 0 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 DiOC6(3) iodide?
The CAS number of DiOC6(3) iodide is 53213-82-4.
What is the molecular formula of DiOC6(3) iodide?
The molecular formula of DiOC6(3) iodide is C29H37IN2O2.
What is the molecular weight of DiOC6(3) iodide?
The molecular weight of DiOC6(3) iodide is 572.19 g/mol.
Where can I buy DiOC6(3) iodide?
You can request a quote for DiOC6(3) iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DiOC6(3) iodide?
Yes, KEHONG BIO provides custom synthesis services for DiOC6(3) iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.