3,3'-Dioctadecyloxacarbocyanine
TL;DR: 3,3'-Dioctadecyloxacarbocyanine (CAS 68006-80-4) is a chemical compound with molecular formula C55H87IN2O2 and molecular weight 934.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecyl-2-[5-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
Also Known As: 3,3'-Dioctadecyloxacarbocyanine
| Molecular Formula | C55H87IN2O2 |
|---|---|
| Molecular Weight | 934.58 g/mol |
| LogP | 14.5571 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 37 |
| Exact Mass | 934.58124 |
| Heavy Atoms | 60 |
| Complexity | 1573.4047 |
Chemical Identifiers
| CAS Number | 68006-80-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.[I-] |
Product Overview
3,3'-Dioctadecyloxacarbocyanine (CAS 68006-80-4), with molecular formula C55H87IN2O2 and molecular weight 934.58 g/mol. IUPAC: 3-octadecyl-2-[5-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of 3,3'-Dioctadecyloxacarbocyanine
Property Insights of 3,3'-Dioctadecyloxacarbocyanine
The XLogP value of 14.5571 indicates that 3,3'-Dioctadecyloxacarbocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.49 Ų, 3,3'-Dioctadecyloxacarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dioctadecyloxacarbocyanine 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 3,3'-Dioctadecyloxacarbocyanine?
The CAS number of 3,3'-Dioctadecyloxacarbocyanine is 68006-80-4.
What is the molecular formula of 3,3'-Dioctadecyloxacarbocyanine?
The molecular formula of 3,3'-Dioctadecyloxacarbocyanine is C55H87IN2O2.
What is the molecular weight of 3,3'-Dioctadecyloxacarbocyanine?
The molecular weight of 3,3'-Dioctadecyloxacarbocyanine is 934.58 g/mol.
Where can I buy 3,3'-Dioctadecyloxacarbocyanine?
You can request a quote for 3,3'-Dioctadecyloxacarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dioctadecyloxacarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dioctadecyloxacarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.