Decynium 22
TL;DR: Decynium 22 (CAS 977-96-8) is a chemical compound with molecular formula C23H23IN2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide
Also Known As: Pseudoisocyanine, Decynium 22, Pseudoisocyanine iodide, 1,1'-Diethyl-2,2'-cyanine iodide, Pseudoisocyanine (iodide)
| Molecular Formula | C23H23IN2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 2.05 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.0906 |
| Heavy Atoms | 26 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 977-96-8 |
|---|---|
| SMILES | CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-] |
| InChIKey | GMYRVMSXMHEDTL-UHFFFAOYSA-M |
Product Overview
Decynium 22 (CAS 977-96-8), with molecular formula C23H23IN2 and molecular weight 454.09 g/mol. IUPAC: 1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide.
Chemical Property Profile of Decynium 22
Property Insights of Decynium 22
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decynium 22. With a topological polar surface area (TPSA) of 7.1 Ų, Decynium 22 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decynium 22 has 0 hydrogen bond donor(s) and 2 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 Decynium 22?
The CAS number of Decynium 22 is 977-96-8.
What is the molecular formula of Decynium 22?
The molecular formula of Decynium 22 is C23H23IN2.
What is the molecular weight of Decynium 22?
The molecular weight of Decynium 22 is 454.09 g/mol.
Where can I buy Decynium 22?
You can request a quote for Decynium 22 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decynium 22?
Yes, KEHONG BIO provides custom synthesis services for Decynium 22 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.