Sodium cholesteryl sulfate
TL;DR: Sodium cholesteryl sulfate (CAS 2864-50-8) is a chemical compound with molecular formula C27H45NaO4S and molecular weight 488.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
Also Known As: Sodium cholesteryl sulfate, Cholesteryl sodium sulfate, cholesteryl sulfate sodium, Cholesterol 3-sulfate sodium salt, Cholesterol, hydrogen sulfate, sodium salt
| Molecular Formula | C27H45NaO4S |
|---|---|
| Molecular Weight | 488.29 g/mol |
| LogP | 3.8772 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.29364 |
| Heavy Atoms | 33 |
| Complexity | 823.97797 |
Chemical Identifiers
| CAS Number | 2864-50-8 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+] |
Product Overview
Sodium cholesteryl sulfate (CAS 2864-50-8), with molecular formula C27H45NaO4S and molecular weight 488.29 g/mol. IUPAC: sodium [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate.
Chemical Property Profile of Sodium cholesteryl sulfate
Property Insights of Sodium cholesteryl sulfate
The XLogP value of 3.8772 indicates that Sodium cholesteryl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium cholesteryl sulfate. Following Lipinski's Rule of Five, Sodium cholesteryl sulfate 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 Sodium cholesteryl sulfate?
The CAS number of Sodium cholesteryl sulfate is 2864-50-8.
What is the molecular formula of Sodium cholesteryl sulfate?
The molecular formula of Sodium cholesteryl sulfate is C27H45NaO4S.
What is the molecular weight of Sodium cholesteryl sulfate?
The molecular weight of Sodium cholesteryl sulfate is 488.29 g/mol.
Where can I buy Sodium cholesteryl sulfate?
You can request a quote for Sodium cholesteryl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium cholesteryl sulfate?
Yes, KEHONG BIO provides custom synthesis services for Sodium cholesteryl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.