Cholesteryl stearate
TL;DR: Cholesteryl stearate (CAS 35602-69-8) is a chemical compound with molecular formula C45H80O2 and molecular weight 652.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
Also Known As: Cholesteryl stearate, Cholesterol stearate, Cholestryl stearate, Cholesteryl octadecanoate, 18:0 Cholesteryl ester
| Molecular Formula | C45H80O2 |
|---|---|
| Molecular Weight | 652.62 g/mol |
| LogP | 17.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Exact Mass | 652.61584 |
| Heavy Atoms | 47 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 35602-69-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | XHRPOTDGOASDJS-XNTGVSEISA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl stearate (CAS 35602-69-8), with molecular formula C45H80O2 and molecular weight 652.62 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate.
Chemical Property Profile of Cholesteryl stearate
Property Insights of Cholesteryl stearate
The XLogP value of 17.5 indicates that Cholesteryl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesteryl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl stearate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesteryl stearate?
The CAS number of Cholesteryl stearate is 35602-69-8.
What is the molecular formula of Cholesteryl stearate?
The molecular formula of Cholesteryl stearate is C45H80O2.
What is the molecular weight of Cholesteryl stearate?
The molecular weight of Cholesteryl stearate is 652.62 g/mol.
Where can I buy Cholesteryl stearate?
You can request a quote for Cholesteryl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl stearate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.