DiOC6
TL;DR: DiOC6 (CAS 54501-79-0) is a chemical compound with molecular formula C29H37N2O2+ and molecular weight 445.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: DiOC6, 3,3'-Dihexyloxacarbocyanine, 3-Hexyl-2-(3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propenyl)benzoxazolium, 3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole, (2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
| Molecular Formula | C29H37N2O2+ |
|---|---|
| Molecular Weight | 445.29 g/mol |
| LogP | 7.6345 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 445.2855 |
| Heavy Atoms | 33 |
| Complexity | 1095.9498 |
Chemical Identifiers
| CAS Number | 54501-79-0 |
|---|---|
| SMILES | CCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC |
Product Overview
DiOC6 (CAS 54501-79-0), with molecular formula C29H37N2O2+ and molecular weight 445.29 g/mol. IUPAC: (2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of DiOC6
Property Insights of DiOC6
The XLogP value of 7.6345 indicates that DiOC6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.49 Ų, DiOC6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DiOC6 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DiOC6?
The CAS number of DiOC6 is 54501-79-0.
What is the molecular formula of DiOC6?
The molecular formula of DiOC6 is C29H37N2O2+.
What is the molecular weight of DiOC6?
The molecular weight of DiOC6 is 445.29 g/mol.
Where can I buy DiOC6?
You can request a quote for DiOC6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DiOC6?
Yes, KEHONG BIO provides custom synthesis services for DiOC6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.