Cholesterol 7alpha-hydroperoxide
TL;DR: Cholesterol 7alpha-hydroperoxide (CAS 2846-29-9) 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,7S,8S,9S,10R,13R,14S,17R)-7-hydroperoxy-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: Cholesterol 7-hydroperoxide, 7-hydroperoxycholesterol, 7alpha-hydroperoxycholesterol, Cholesterol 7alpha-hydroperoxide, Cholesterol 7-alpha-hydroperoxide
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 7.5 |
| 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 | 642.0 |
Chemical Identifiers
| CAS Number | 2846-29-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OO)C |
| InChIKey | KJIGLXGIVLBXCF-RVOWOUOISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesterol 7alpha-hydroperoxide (CAS 2846-29-9), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: (3S,7S,8S,9S,10R,13R,14S,17R)-7-hydroperoxy-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 Cholesterol 7alpha-hydroperoxide
Property Insights of Cholesterol 7alpha-hydroperoxide
The XLogP value of 7.5 indicates that Cholesterol 7alpha-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, Cholesterol 7alpha-hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesterol 7alpha-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 Cholesterol 7alpha-hydroperoxide?
The CAS number of Cholesterol 7alpha-hydroperoxide is 2846-29-9.
What is the molecular formula of Cholesterol 7alpha-hydroperoxide?
The molecular formula of Cholesterol 7alpha-hydroperoxide is C27H46O3.
What is the molecular weight of Cholesterol 7alpha-hydroperoxide?
The molecular weight of Cholesterol 7alpha-hydroperoxide is 418.34 g/mol.
Where can I buy Cholesterol 7alpha-hydroperoxide?
You can request a quote for Cholesterol 7alpha-hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesterol 7alpha-hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for Cholesterol 7alpha-hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.