D289; 4-Di-2-ASP
TL;DR: D289; 4-Di-2-ASP (CAS 105802-46-8) is a chemical compound with molecular formula C18H23IN2 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
Also Known As: 4-di-2-Asp, 4-(4-Diethylaminostyryl)-1-methylpyridinium iodide, D289; 4-Di-2-ASP, 4-(4-diethylaminostyryl)-N-methylpyridinium, 4-(4-Diethylaminostyryl)-N-methylpyridinium iodide
| Molecular Formula | C18H23IN2 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.0906 |
| Heavy Atoms | 21 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 105802-46-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-] |
| InChIKey | WIPKWLIHFGTFQV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D289; 4-Di-2-ASP (CAS 105802-46-8), with molecular formula C18H23IN2 and molecular weight 394.09 g/mol. IUPAC: N,N-diethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide.
Chemical Property Profile of D289; 4-Di-2-ASP
Property Insights of D289; 4-Di-2-ASP
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D289; 4-Di-2-ASP. With a topological polar surface area (TPSA) of 7.1 Ų, D289; 4-Di-2-ASP exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D289; 4-Di-2-ASP 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 D289; 4-Di-2-ASP?
The CAS number of D289; 4-Di-2-ASP is 105802-46-8.
What is the molecular formula of D289; 4-Di-2-ASP?
The molecular formula of D289; 4-Di-2-ASP is C18H23IN2.
What is the molecular weight of D289; 4-Di-2-ASP?
The molecular weight of D289; 4-Di-2-ASP is 394.09 g/mol.
Where can I buy D289; 4-Di-2-ASP?
You can request a quote for D289; 4-Di-2-ASP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D289; 4-Di-2-ASP?
Yes, KEHONG BIO provides custom synthesis services for D289; 4-Di-2-ASP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.