Cholesterin ethyl ether
TL;DR: Cholesterin ethyl ether (CAS 986-19-6) is a chemical compound with molecular formula C29H50O and molecular weight 414.39 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)-3-ethoxy-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]phenanthrene
Also Known As: Cholesterin ethyl ether, Cholesteryl ethyl ether, cholesterol ethyl ether, 3-Ethoxycholest-5-ene, 3beta-Ethoxycholest-5-ene
| Molecular Formula | C29H50O |
|---|---|
| Molecular Weight | 414.39 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.38617 |
| Heavy Atoms | 30 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 986-19-6 |
|---|---|
| SMILES | CCO[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 | HVJCKZFYZWPQOO-AXYOXNHISA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesterin ethyl ether (CAS 986-19-6), with molecular formula C29H50O and molecular weight 414.39 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-3-ethoxy-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]phenanthrene.
Chemical Property Profile of Cholesterin ethyl ether
Property Insights of Cholesterin ethyl ether
The XLogP value of 9.4 indicates that Cholesterin ethyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Cholesterin ethyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesterin ethyl ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesterin ethyl ether?
The CAS number of Cholesterin ethyl ether is 986-19-6.
What is the molecular formula of Cholesterin ethyl ether?
The molecular formula of Cholesterin ethyl ether is C29H50O.
What is the molecular weight of Cholesterin ethyl ether?
The molecular weight of Cholesterin ethyl ether is 414.39 g/mol.
Where can I buy Cholesterin ethyl ether?
You can request a quote for Cholesterin ethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesterin ethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Cholesterin ethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.