Pinacyanol cation
TL;DR: Pinacyanol cation (CAS 20187-38-6) is a chemical compound with molecular formula C25H25N2+ and molecular weight 353.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline
Also Known As: pinacyanol cation, Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propenyl]-
| Molecular Formula | C25H25N2+ |
|---|---|
| Molecular Weight | 353.20 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.20178 |
| Heavy Atoms | 27 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 20187-38-6 |
|---|---|
| SMILES | CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41 |
| InChIKey | HQCBCYUEDZNVBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pinacyanol cation (CAS 20187-38-6), with molecular formula C25H25N2+ and molecular weight 353.20 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline.
Chemical Property Profile of Pinacyanol cation
Property Insights of Pinacyanol cation
The XLogP value of 6.3 indicates that Pinacyanol cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.1 Ų, Pinacyanol cation exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinacyanol cation has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pinacyanol cation?
The CAS number of Pinacyanol cation is 20187-38-6.
What is the molecular formula of Pinacyanol cation?
The molecular formula of Pinacyanol cation is C25H25N2+.
What is the molecular weight of Pinacyanol cation?
The molecular weight of Pinacyanol cation is 353.20 g/mol.
Where can I buy Pinacyanol cation?
You can request a quote for Pinacyanol cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinacyanol cation?
Yes, KEHONG BIO provides custom synthesis services for Pinacyanol cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.