辛基三甲基铵硫酸甲酯
TL;DR: 辛基三甲基铵硫酸甲酯 (CAS 65059-42-9) is a chemical compound with molecular formula C12H29NO4S and molecular weight 283.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛基三甲基铵硫酸甲酯
methyl sulfate;trimethyl(octyl)azanium
Also Known As: Caprylyltrimethylammonium methosulfate, Trimethyloctylammonium methyl sulphate, Ammonium, trimethyloctyl-, methyl sulfate, 1-Octanaminium, N,N,N-trimethyl-, methyl sulfate, methyl sulfate,trimethyl(octyl)azanium
| Molecular Formula | C12H29NO4S |
|---|---|
| Molecular Weight | 283.18 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.18173 |
| Heavy Atoms | 18 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 65059-42-9 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | MWRUIIQJFZKJTH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛基三甲基铵硫酸甲酯 (CAS 65059-42-9), with molecular formula C12H29NO4S and molecular weight 283.18 g/mol. IUPAC: methyl sulfate;trimethyl(octyl)azanium.
Chemical Property Profile of 辛基三甲基铵硫酸甲酯
Property Insights of 辛基三甲基铵硫酸甲酯
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 辛基三甲基铵硫酸甲酯. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 辛基三甲基铵硫酸甲酯. Following Lipinski's Rule of Five, 辛基三甲基铵硫酸甲酯 has 0 hydrogen bond donor(s) and 4 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 辛基三甲基铵硫酸甲酯?
The CAS number of 辛基三甲基铵硫酸甲酯 is 65059-42-9.
What is the molecular formula of 辛基三甲基铵硫酸甲酯?
The molecular formula of 辛基三甲基铵硫酸甲酯 is C12H29NO4S.
What is the molecular weight of 辛基三甲基铵硫酸甲酯?
The molecular weight of 辛基三甲基铵硫酸甲酯 is 283.18 g/mol.
Where can I buy 辛基三甲基铵硫酸甲酯?
You can request a quote for 辛基三甲基铵硫酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛基三甲基铵硫酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 辛基三甲基铵硫酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.