6-Fluorocholesterol
TL;DR: 6-Fluorocholesterol (CAS 86361-68-4) is a chemical compound with molecular formula C27H45FO and molecular weight 404.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S,17S)-6-fluoro-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]phenanthren-3-ol
Also Known As: 6-Fluorocholesterol, 6-Flcs, 6-Fluorocholest-5-en-3-ol, Cholest-5-en-3-ol, 6-fluoro-, (3beta)-, 6-Fluoro-17alpha-cholest-5-en-3-ol
| Molecular Formula | C27H45FO |
|---|---|
| Molecular Weight | 404.35 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.34546 |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 86361-68-4 |
|---|---|
| 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(CCC(C4)O)C)F)C |
| InChIKey | KVAZIFKRVOEFIV-RGHCLLKBSA-N |
Product Overview
6-Fluorocholesterol (CAS 86361-68-4), with molecular formula C27H45FO and molecular weight 404.35 g/mol. IUPAC: (8S,9S,10R,13R,14S,17S)-6-fluoro-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]phenanthren-3-ol.
Chemical Property Profile of 6-Fluorocholesterol
Property Insights of 6-Fluorocholesterol
The XLogP value of 8.4 indicates that 6-Fluorocholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 6-Fluorocholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluorocholesterol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Fluorocholesterol?
The CAS number of 6-Fluorocholesterol is 86361-68-4.
What is the molecular formula of 6-Fluorocholesterol?
The molecular formula of 6-Fluorocholesterol is C27H45FO.
What is the molecular weight of 6-Fluorocholesterol?
The molecular weight of 6-Fluorocholesterol is 404.35 g/mol.
Where can I buy 6-Fluorocholesterol?
You can request a quote for 6-Fluorocholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluorocholesterol?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluorocholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.