硫酸胆碱酯
TL;DR: 硫酸胆碱酯 (CAS 4858-96-2) is a chemical compound with molecular formula C5H13NO4S and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸胆碱酯
2-(trimethylazaniumyl)ethyl sulfate
Also Known As: choline sulfate, Choline O-sulfate, choline sulphate, Choline-O-sulfate, O-Sulfonatocholine
| Molecular Formula | C5H13NO4S |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05653 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 4858-96-2 |
|---|---|
| SMILES | C[N+](C)(C)CCOS(=O)(=O)[O-] |
| InChIKey | WXCQAWGXWVRCGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸胆碱酯 (CAS 4858-96-2), with molecular formula C5H13NO4S and molecular weight 183.06 g/mol. IUPAC: 2-(trimethylazaniumyl)ethyl sulfate.
Chemical Property Profile of 硫酸胆碱酯
Property Insights of 硫酸胆碱酯
The XLogP value of -0.9 indicates that 硫酸胆碱酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫酸胆碱酯. Following Lipinski's Rule of Five, 硫酸胆碱酯 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 硫酸胆碱酯?
The CAS number of 硫酸胆碱酯 is 4858-96-2.
What is the molecular formula of 硫酸胆碱酯?
The molecular formula of 硫酸胆碱酯 is C5H13NO4S.
What is the molecular weight of 硫酸胆碱酯?
The molecular weight of 硫酸胆碱酯 is 183.06 g/mol.
Where can I buy 硫酸胆碱酯?
You can request a quote for 硫酸胆碱酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸胆碱酯?
Yes, KEHONG BIO provides custom synthesis services for 硫酸胆碱酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.