20-Methylcholesterol
TL;DR: 20-Methylcholesterol (CAS 6583-87-5) 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,13S,14S,17R)-17-(2,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 20-Methylcholesterol, 20-Methylcholesterin, 20-Methylcholest-5-en-3-ol, KST-1A7181, (3
| Molecular Formula | C28H48O |
|---|---|
| Molecular Weight | 400.37 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.3705 |
| Heavy Atoms | 29 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 6583-87-5 |
|---|---|
| SMILES | CC(C)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)O)C)C |
| InChIKey | CSDUKRUFTFEFBO-XMLICAENSA-N |
Product Overview
20-Methylcholesterol (CAS 6583-87-5), with molecular formula C28H48O and molecular weight 400.37 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17R)-17-(2,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 20-Methylcholesterol
Property Insights of 20-Methylcholesterol
The XLogP value of 9.1 indicates that 20-Methylcholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 20-Methylcholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-Methylcholesterol has 1 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 20-Methylcholesterol?
The CAS number of 20-Methylcholesterol is 6583-87-5.
What is the molecular formula of 20-Methylcholesterol?
The molecular formula of 20-Methylcholesterol is C28H48O.
What is the molecular weight of 20-Methylcholesterol?
The molecular weight of 20-Methylcholesterol is 400.37 g/mol.
Where can I buy 20-Methylcholesterol?
You can request a quote for 20-Methylcholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Methylcholesterol?
Yes, KEHONG BIO provides custom synthesis services for 20-Methylcholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.