6beta-Hydroperoxycholest-4-en-3-one
TL;DR: 6beta-Hydroperoxycholest-4-en-3-one (CAS 2207-76-3) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8S,9S,10R,13R,14S,17R)-6-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 6beta-hydroperoxycholest-4-en-3-one, 6-Hydroperoxy-4-cholesten-3-one, 6-hydroperoxycholest-4-en-3-one, KST-1A2856, Cholest-4-en-3-one, 6-beta-hydroperoxy-
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 2207-76-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)OO)C |
| InChIKey | CVJNCIPPOLWWCO-ZAAZJSNSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6beta-Hydroperoxycholest-4-en-3-one (CAS 2207-76-3), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (6R,8S,9S,10R,13R,14S,17R)-6-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 6beta-Hydroperoxycholest-4-en-3-one
Property Insights of 6beta-Hydroperoxycholest-4-en-3-one
The XLogP value of 7.3 indicates that 6beta-Hydroperoxycholest-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 6beta-Hydroperoxycholest-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6beta-Hydroperoxycholest-4-en-3-one has 1 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 6beta-Hydroperoxycholest-4-en-3-one?
The CAS number of 6beta-Hydroperoxycholest-4-en-3-one is 2207-76-3.
What is the molecular formula of 6beta-Hydroperoxycholest-4-en-3-one?
The molecular formula of 6beta-Hydroperoxycholest-4-en-3-one is C27H44O3.
What is the molecular weight of 6beta-Hydroperoxycholest-4-en-3-one?
The molecular weight of 6beta-Hydroperoxycholest-4-en-3-one is 416.33 g/mol.
Where can I buy 6beta-Hydroperoxycholest-4-en-3-one?
You can request a quote for 6beta-Hydroperoxycholest-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta-Hydroperoxycholest-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6beta-Hydroperoxycholest-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.