(2-Hydroxyethyl)dimethyloctylammonium, benzilate ester
TL;DR: (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester (CAS 744138-89-4) is a chemical compound with molecular formula C26H38NO3+ and molecular weight 412.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium
Also Known As: octibenzonium, OCTIBENZONIUM ION, OCTIBENZONIUM CATION, (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester, 1-Octanaminium, N-(2-((hydroxydiphenylacetyl)oxy)ethyl)-N,N-dimethyl-
| Molecular Formula | C26H38NO3+ |
|---|---|
| Molecular Weight | 412.29 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 412.28516 |
| Heavy Atoms | 30 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 744138-89-4 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | BVAVJZIACKCFTI-UHFFFAOYSA-N |
Product Overview
(2-Hydroxyethyl)dimethyloctylammonium, benzilate ester (CAS 744138-89-4), with molecular formula C26H38NO3+ and molecular weight 412.29 g/mol. IUPAC: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium.
Chemical Property Profile of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester
Property Insights of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester
The XLogP value of 6.1 indicates that (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester 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 (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester?
The CAS number of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester is 744138-89-4.
What is the molecular formula of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester?
The molecular formula of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester is C26H38NO3+.
What is the molecular weight of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester?
The molecular weight of (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester is 412.29 g/mol.
Where can I buy (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester?
You can request a quote for (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxyethyl)dimethyloctylammonium, benzilate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.