4-(4-Dimethylaminostyryl)-1-dodecylpyridinium
TL;DR: 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium (CAS 85687-99-6) is a chemical compound with molecular formula C27H41N2+ and molecular weight 393.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
Also Known As: 4-Dmas-DP, 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium, 4-(p-Dimethylaminostyryl)-1-dodecylpyridinium p-toluenesulfonate, 4-[2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline, RefChem:97229
| Molecular Formula | C27H41N2+ |
|---|---|
| Molecular Weight | 393.33 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Exact Mass | 393.32697 |
| Heavy Atoms | 29 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 85687-99-6 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C |
| InChIKey | HJDWBLAETOTRKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Dimethylaminostyryl)-1-dodecylpyridinium (CAS 85687-99-6), with molecular formula C27H41N2+ and molecular weight 393.33 g/mol. IUPAC: 4-[2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline.
Chemical Property Profile of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium
Property Insights of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium
The XLogP value of 8.9 indicates that 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.1 Ų, 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium 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 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium?
The CAS number of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium is 85687-99-6.
What is the molecular formula of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium?
The molecular formula of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium is C27H41N2+.
What is the molecular weight of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium?
The molecular weight of 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium is 393.33 g/mol.
Where can I buy 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium?
You can request a quote for 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Dimethylaminostyryl)-1-dodecylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.