20alpha-Hydroxycholesterol
TL;DR: 20alpha-Hydroxycholesterol (CAS 516-72-3) is a chemical compound with molecular formula C27H46O2 and molecular weight 402.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-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-hydroxycholesterol, 20(S)-hydroxycholesterol, 20alpha-Hydroxycholesterol, (20S)-20-Hydroxycholesterol, 20?-Hydroxy Cholesterol
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 516-72-3 |
|---|---|
| SMILES | CC(C)CCC[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)O |
| InChIKey | MCKLJFJEQRYRQT-APGJSSKUSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
20alpha-Hydroxycholesterol (CAS 516-72-3), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-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 20alpha-Hydroxycholesterol
Property Insights of 20alpha-Hydroxycholesterol
The XLogP value of 6.9 indicates that 20alpha-Hydroxycholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 20alpha-Hydroxycholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20alpha-Hydroxycholesterol has 2 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 20alpha-Hydroxycholesterol?
The CAS number of 20alpha-Hydroxycholesterol is 516-72-3.
What is the molecular formula of 20alpha-Hydroxycholesterol?
The molecular formula of 20alpha-Hydroxycholesterol is C27H46O2.
What is the molecular weight of 20alpha-Hydroxycholesterol?
The molecular weight of 20alpha-Hydroxycholesterol is 402.35 g/mol.
Where can I buy 20alpha-Hydroxycholesterol?
You can request a quote for 20alpha-Hydroxycholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20alpha-Hydroxycholesterol?
Yes, KEHONG BIO provides custom synthesis services for 20alpha-Hydroxycholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.