3,3'-Diethyloxadicarbocyanine iodide
TL;DR: 3,3'-Diethyloxadicarbocyanine iodide (CAS 64173-98-4) is a chemical compound with molecular formula C23H23IN2O2 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
Also Known As: C5-oxacyanine, DODC Iodide, DODCI, 3,3'-Diethyloxadicarbocyanine iodide, Eastman 11219
| Molecular Formula | C23H23IN2O2 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 2.0739 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.08044 |
| Heavy Atoms | 28 |
| Complexity | 1049.6919 |
Chemical Identifiers
| CAS Number | 64173-98-4 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2O/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4O3)CC.[I-] |
Product Overview
3,3'-Diethyloxadicarbocyanine iodide (CAS 64173-98-4), with molecular formula C23H23IN2O2 and molecular weight 486.08 g/mol. IUPAC: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of 3,3'-Diethyloxadicarbocyanine iodide
Property Insights of 3,3'-Diethyloxadicarbocyanine iodide
The XLogP value of 2.0739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Diethyloxadicarbocyanine iodide. With a topological polar surface area (TPSA) of 29.49 Ų, 3,3'-Diethyloxadicarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diethyloxadicarbocyanine iodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Diethyloxadicarbocyanine iodide?
The CAS number of 3,3'-Diethyloxadicarbocyanine iodide is 64173-98-4.
What is the molecular formula of 3,3'-Diethyloxadicarbocyanine iodide?
The molecular formula of 3,3'-Diethyloxadicarbocyanine iodide is C23H23IN2O2.
What is the molecular weight of 3,3'-Diethyloxadicarbocyanine iodide?
The molecular weight of 3,3'-Diethyloxadicarbocyanine iodide is 486.08 g/mol.
Where can I buy 3,3'-Diethyloxadicarbocyanine iodide?
You can request a quote for 3,3'-Diethyloxadicarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Diethyloxadicarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethyloxadicarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.