(3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane
TL;DR: (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane (CAS 2867-93-8) 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.
(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
Also Known As: i-Cholesterol methyl ether, i-Cholesteryl methyl ether, 6beta-Methoxy-i-cholesterol, 6-Methoxy-3,5-cyclocholestane, 3,5-Cyclocholestane, 6-methoxy-
| Molecular Formula | C28H48O |
|---|---|
| Molecular Weight | 400.37 g/mol |
| LogP | 9.4 |
| 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 | 626.0 |
Chemical Identifiers
| CAS Number | 2867-93-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C |
| InChIKey | DSVYQBSADVVKNY-HHZNOXSWSA-N |
Product Overview
(3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane (CAS 2867-93-8), with molecular formula C28H48O and molecular weight 400.37 g/mol. IUPAC: (1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane.
Chemical Property Profile of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane
Property Insights of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane
The XLogP value of 9.4 indicates that (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane 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 (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane?
The CAS number of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane is 2867-93-8.
What is the molecular formula of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane?
The molecular formula of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane is C28H48O.
What is the molecular weight of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane?
The molecular weight of (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane is 400.37 g/mol.
Where can I buy (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane?
You can request a quote for (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5R,6beta)-6-Methoxy-3,5-cyclocholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.