胆固醇甲醚
TL;DR: 胆固醇甲醚 (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.
胆固醇甲醚
(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
胆固醇甲醚 (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 胆固醇甲醚
Property Insights of 胆固醇甲醚
The XLogP value of 9.1 indicates that 胆固醇甲醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 胆固醇甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胆固醇甲醚 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 胆固醇甲醚?
The CAS number of 胆固醇甲醚 is 117766-87-7.
What is the molecular formula of 胆固醇甲醚?
The molecular formula of 胆固醇甲醚 is C28H48O.
What is the molecular weight of 胆固醇甲醚?
The molecular weight of 胆固醇甲醚 is 400.37 g/mol.
Where can I buy 胆固醇甲醚?
You can request a quote for 胆固醇甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胆固醇甲醚?
Yes, KEHONG BIO provides custom synthesis services for 胆固醇甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.