3,3'-Diethyloxadicarbocyanine
TL;DR: 3,3'-Diethyloxadicarbocyanine (CAS 15033-25-7) is a chemical compound with molecular formula C23H23N2O2+ and molecular weight 359.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole
Also Known As: 3,3'-Diethyloxadicarbocyanine, J1.455.417C, 3-ethyl-2-[(1e,3e,5z)-5-(3-ethyl-1,3-benzoxazol-2(3h)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium, (2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole, 3-ethyl-2-[(1E,3E)-5-[(2E)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium
| Molecular Formula | C23H23N2O2+ |
|---|---|
| Molecular Weight | 359.18 g/mol |
| LogP | 5.0699 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.17596 |
| Heavy Atoms | 27 |
| Complexity | 1043.4679 |
Chemical Identifiers
| CAS Number | 15033-25-7 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2O/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4O3)CC |
Product Overview
3,3'-Diethyloxadicarbocyanine (CAS 15033-25-7), with molecular formula C23H23N2O2+ and molecular weight 359.18 g/mol. IUPAC: (2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole.
Chemical Property Profile of 3,3'-Diethyloxadicarbocyanine
Property Insights of 3,3'-Diethyloxadicarbocyanine
The XLogP value of 5.0699 indicates that 3,3'-Diethyloxadicarbocyanine 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'-Diethyloxadicarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diethyloxadicarbocyanine 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'-Diethyloxadicarbocyanine?
The CAS number of 3,3'-Diethyloxadicarbocyanine is 15033-25-7.
What is the molecular formula of 3,3'-Diethyloxadicarbocyanine?
The molecular formula of 3,3'-Diethyloxadicarbocyanine is C23H23N2O2+.
What is the molecular weight of 3,3'-Diethyloxadicarbocyanine?
The molecular weight of 3,3'-Diethyloxadicarbocyanine is 359.18 g/mol.
Where can I buy 3,3'-Diethyloxadicarbocyanine?
You can request a quote for 3,3'-Diethyloxadicarbocyanine 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?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethyloxadicarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.