2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate
TL;DR: 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate (CAS 34523-95-0) is a chemical compound with molecular formula C19H41BrN2OS and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl-[2-(ethylcarbamothioyloxy)ethyl]-dimethylazanium bromide
Also Known As: 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate, AMMONIUM, DIMETHYLDODECYL(2-HYDROXYETHYL)-, BROMIDE, ETHYLTHIOCARBAMATE, 2-(Ethylthiocarbamyloxy)ethyldimethyldodecylammonium bromide, 2-(Ethylthiocarbamyloxy)ethyldodecyldimethylammonium bromide, dodecyl-[2-(ethylcarbamothioyloxy)ethyl]-dimethylazanium bromide
| Molecular Formula | C19H41BrN2OS |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 1.8987 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 424.2123 |
| Heavy Atoms | 24 |
| Complexity | 288.54034 |
Chemical Identifiers
| CAS Number | 34523-95-0 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](C)(C)CCOC(=S)NCC.[Br-] |
Product Overview
2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate (CAS 34523-95-0), with molecular formula C19H41BrN2OS and molecular weight 424.21 g/mol. IUPAC: dodecyl-[2-(ethylcarbamothioyloxy)ethyl]-dimethylazanium bromide.
Chemical Property Profile of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate
Property Insights of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate
The XLogP value of 1.8987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate. With a topological polar surface area (TPSA) of 21.26 Ų, 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate has 1 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 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate?
The CAS number of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate is 34523-95-0.
What is the molecular formula of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate?
The molecular formula of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate is C19H41BrN2OS.
What is the molecular weight of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate?
The molecular weight of 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate is 424.21 g/mol.
Where can I buy 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate?
You can request a quote for 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyldimethyldodecyl ammonium bromide, N-ethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.