Cholesterol methyl ether
TL;DR: Cholesterol methyl ether (CAS 117766-87-7) is a chemical compound with molecular formula C28H48O and molecular weight 400.37 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-methoxy-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: Cholesterol methyl ether, Cholesteryl methyl ether, Cholesterin methyl ether, 3-O-Methylcholesterol, 3beta-Methoxycholest-5-ene
| Molecular Formula | C28H48O |
|---|---|
| Molecular Weight | 400.37 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.3705 |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 117766-87-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC)C)C |
| InChIKey | RCXPTZJNVLDKKV-PXBBAZSNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesterol methyl ether (CAS 117766-87-7), with molecular formula C28H48O and molecular weight 400.37 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-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 Cholesterol methyl ether
Property Insights of Cholesterol methyl ether
The XLogP value of 9.1 indicates that Cholesterol methyl 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, Cholesterol methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesterol methyl 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 Cholesterol methyl ether?
The CAS number of Cholesterol methyl ether is 117766-87-7.
What is the molecular formula of Cholesterol methyl ether?
The molecular formula of Cholesterol methyl ether is C28H48O.
What is the molecular weight of Cholesterol methyl ether?
The molecular weight of Cholesterol methyl ether is 400.37 g/mol.
Where can I buy Cholesterol methyl ether?
You can request a quote for Cholesterol methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesterol methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Cholesterol methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.