3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide
TL;DR: 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide (CAS 3328-25-4) is a chemical compound with molecular formula C27H46O3 and molecular weight 418.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13R,14S,17R)-5-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 5-Hydroperoxycholesterol, Cholesterol-5-alpha-hydroperoxide, 5&alpha,-hydroperoxycholesterol, KST-1A3989, 5-Hydroperoxycholest-6-en-3beta-ol
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 3328-25-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4([C@@]3(CC[C@@H](C4)O)C)OO)C |
| InChIKey | CUIXDAUTEMBARD-JYHISOCBSA-N |
Product Overview
3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide (CAS 3328-25-4), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-5-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide
Property Insights of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide
The XLogP value of 7.7 indicates that 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide?
The CAS number of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide is 3328-25-4.
What is the molecular formula of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide?
The molecular formula of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide is C27H46O3.
What is the molecular weight of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide?
The molecular weight of 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide is 418.34 g/mol.
Where can I buy 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide?
You can request a quote for 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.