Benzyl-2-hydroxydodecyldimethylammonium benzoate
TL;DR: Benzyl-2-hydroxydodecyldimethylammonium benzoate (CAS 113694-52-3) is a chemical compound with molecular formula C28H43NO3 and molecular weight 441.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate
Also Known As: benzyl-(2-hydroxydodecyl)-dimethylazanium;benzoate, Benzyl-2-hydroxydodecyldimethylammonium benzoate, EC 402-610-6, benzyl-2-hydroxydodecyl dimethylammonium benzoate, benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate
| Molecular Formula | C28H43NO3 |
|---|---|
| Molecular Weight | 441.32 g/mol |
| LogP | 5.2048 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 441.32428 |
| Heavy Atoms | 32 |
| Complexity | 715.97205 |
Chemical Identifiers
| CAS Number | 113694-52-3 |
|---|---|
| SMILES | CCCCCCCCCCC(C[N+](C)(C)CC1=CC=CC=C1)O.C1=CC=C(C=C1)C(=O)[O-] |
Product Overview
Benzyl-2-hydroxydodecyldimethylammonium benzoate (CAS 113694-52-3), with molecular formula C28H43NO3 and molecular weight 441.32 g/mol. IUPAC: benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate.
Chemical Property Profile of Benzyl-2-hydroxydodecyldimethylammonium benzoate
Property Insights of Benzyl-2-hydroxydodecyldimethylammonium benzoate
The XLogP value of 5.2048 indicates that Benzyl-2-hydroxydodecyldimethylammonium benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl-2-hydroxydodecyldimethylammonium benzoate. Following Lipinski's Rule of Five, Benzyl-2-hydroxydodecyldimethylammonium benzoate has 1 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 Benzyl-2-hydroxydodecyldimethylammonium benzoate?
The CAS number of Benzyl-2-hydroxydodecyldimethylammonium benzoate is 113694-52-3.
What is the molecular formula of Benzyl-2-hydroxydodecyldimethylammonium benzoate?
The molecular formula of Benzyl-2-hydroxydodecyldimethylammonium benzoate is C28H43NO3.
What is the molecular weight of Benzyl-2-hydroxydodecyldimethylammonium benzoate?
The molecular weight of Benzyl-2-hydroxydodecyldimethylammonium benzoate is 441.32 g/mol.
Where can I buy Benzyl-2-hydroxydodecyldimethylammonium benzoate?
You can request a quote for Benzyl-2-hydroxydodecyldimethylammonium benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-2-hydroxydodecyldimethylammonium benzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-2-hydroxydodecyldimethylammonium benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.