DEA-鲸蜡基硫酸酯
TL;DR: DEA-鲸蜡基硫酸酯 (CAS 5460-64-0) is a chemical compound with molecular formula C20H45NO6S and molecular weight 427.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
DEA-鲸蜡基硫酸酯
hexadecyl hydrogen sulfate;2-(2-hydroxyethylamino)ethanol
Also Known As: DEA-Cetyl sulfate, Diethanolamine cetyl sulfate, Diethanolamine hexadecyl sulfate, diethanolammonium cetyl sulfate, bis(2-hydroxyethyl)azanium
| Molecular Formula | C20H45NO6S |
|---|---|
| Molecular Weight | 427.30 g/mol |
| LogP | 3.8477 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 427.29675 |
| Heavy Atoms | 28 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5460-64-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOS(=O)(=O)O.C(CO)NCCO |
| InChIKey | PJDFMXWUFDUYTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DEA-鲸蜡基硫酸酯 (CAS 5460-64-0), with molecular formula C20H45NO6S and molecular weight 427.30 g/mol. IUPAC: hexadecyl hydrogen sulfate;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of DEA-鲸蜡基硫酸酯
Property Insights of DEA-鲸蜡基硫酸酯
The XLogP value of 3.8477 indicates that DEA-鲸蜡基硫酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DEA-鲸蜡基硫酸酯. Following Lipinski's Rule of Five, DEA-鲸蜡基硫酸酯 has 4 hydrogen bond donor(s) and 7 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 DEA-鲸蜡基硫酸酯?
The CAS number of DEA-鲸蜡基硫酸酯 is 5460-64-0.
What is the molecular formula of DEA-鲸蜡基硫酸酯?
The molecular formula of DEA-鲸蜡基硫酸酯 is C20H45NO6S.
What is the molecular weight of DEA-鲸蜡基硫酸酯?
The molecular weight of DEA-鲸蜡基硫酸酯 is 427.30 g/mol.
Where can I buy DEA-鲸蜡基硫酸酯?
You can request a quote for DEA-鲸蜡基硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DEA-鲸蜡基硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for DEA-鲸蜡基硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.