22-Ketocholesterol
TL;DR: 22-Ketocholesterol (CAS 19243-30-2) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one
Also Known As: 22-Oxocholesterol, 22-Ketocholesterol, 22-KetoC, 5-cholesten-3beta-ol-22-one, 3-Hydroxycholest-5-en-22-one
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 19243-30-2 |
|---|---|
| SMILES | C[C@@H]([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)C(=O)CCC(C)C |
| InChIKey | ZJIBAMHOAQWYSE-CNXJXGGASA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
22-Ketocholesterol (CAS 19243-30-2), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one.
Chemical Property Profile of 22-Ketocholesterol
Property Insights of 22-Ketocholesterol
The XLogP value of 6.6 indicates that 22-Ketocholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 22-Ketocholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-Ketocholesterol 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 22-Ketocholesterol?
The CAS number of 22-Ketocholesterol is 19243-30-2.
What is the molecular formula of 22-Ketocholesterol?
The molecular formula of 22-Ketocholesterol is C27H44O2.
What is the molecular weight of 22-Ketocholesterol?
The molecular weight of 22-Ketocholesterol is 400.33 g/mol.
Where can I buy 22-Ketocholesterol?
You can request a quote for 22-Ketocholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Ketocholesterol?
Yes, KEHONG BIO provides custom synthesis services for 22-Ketocholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.