Neocyanine
TL;DR: Neocyanine (CAS 4846-34-8) is a chemical compound with molecular formula C38H37I2N3 and molecular weight 789.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-[1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
Also Known As: ALLOCYANINE, Cryptocyanine O.A.1, 4,4'-[5-(1-Ethylquinolin-4(1H)-ylidene)penta-1,3-diene-1,3-diyl]bis(1-ethylquinolin-1-ium) diiodide, NEOCYANINE
| Molecular Formula | C38H37I2N3 |
|---|---|
| Molecular Weight | 789.11 g/mol |
| LogP | 2.1498 |
| Topological Polar Surface Area | 11.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 789.10767 |
| Heavy Atoms | 43 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 4846-34-8 |
|---|---|
| SMILES | CCN1C=CC(=CC=C(C=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=[N+](C5=CC=CC=C45)CC)C6=CC=CC=C61.[I-].[I-] |
| InChIKey | RJOBRLLSEIIUFB-UHFFFAOYSA-L |
Product Overview
Neocyanine (CAS 4846-34-8), with molecular formula C38H37I2N3 and molecular weight 789.11 g/mol. IUPAC: 1-ethyl-4-[1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide.
Chemical Property Profile of Neocyanine
Property Insights of Neocyanine
The XLogP value of 2.1498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neocyanine. With a topological polar surface area (TPSA) of 11.0 Ų, Neocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neocyanine 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 Neocyanine?
The CAS number of Neocyanine is 4846-34-8.
What is the molecular formula of Neocyanine?
The molecular formula of Neocyanine is C38H37I2N3.
What is the molecular weight of Neocyanine?
The molecular weight of Neocyanine is 789.11 g/mol.
Where can I buy Neocyanine?
You can request a quote for Neocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neocyanine?
Yes, KEHONG BIO provides custom synthesis services for Neocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.