3,3'-Diethyloxacarbocyanine
TL;DR: 3,3'-Diethyloxacarbocyanine (CAS 37069-75-3) is a chemical compound with molecular formula C21H21N2O2+ and molecular weight 333.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: DiOC2, 3,3'-Diethyloxacarbocyanine, C3-oxacyanine cation, Dioc2(3), Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-
| Molecular Formula | C21H21N2O2+ |
|---|---|
| Molecular Weight | 333.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1603 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 37069-75-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CC |
| InChIKey | VZUFSMBGWBLOCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Diethyloxacarbocyanine (CAS 37069-75-3), with molecular formula C21H21N2O2+ and molecular weight 333.16 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of 3,3'-Diethyloxacarbocyanine
Property Insights of 3,3'-Diethyloxacarbocyanine
The XLogP value of 5.2 indicates that 3,3'-Diethyloxacarbocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3,3'-Diethyloxacarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diethyloxacarbocyanine 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'-Diethyloxacarbocyanine?
The CAS number of 3,3'-Diethyloxacarbocyanine is 37069-75-3.
What is the molecular formula of 3,3'-Diethyloxacarbocyanine?
The molecular formula of 3,3'-Diethyloxacarbocyanine is C21H21N2O2+.
What is the molecular weight of 3,3'-Diethyloxacarbocyanine?
The molecular weight of 3,3'-Diethyloxacarbocyanine is 333.16 g/mol.
Where can I buy 3,3'-Diethyloxacarbocyanine?
You can request a quote for 3,3'-Diethyloxacarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Diethyloxacarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethyloxacarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.