22-Hydroxycholest-4-en-3-one
TL;DR: 22-Hydroxycholest-4-en-3-one (CAS 60881-76-7) 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.
(8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 22-Hydroxycholest-4-en-3-one, 22R-Hydroxycholest-4-en-3-one, (22R)-22-Hydroxycholest-4-en-3-one, 22(R)-hydroxy-4-cholestene-3-one, Cholest-4-en-3-one, 22-hydroxy-, (22R)-
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 6.5677 |
| 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 | 663.449 |
Chemical Identifiers
| CAS Number | 60881-76-7 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)[C@@H](CCC(C)C)O |
Product Overview
22-Hydroxycholest-4-en-3-one (CAS 60881-76-7), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 22-Hydroxycholest-4-en-3-one
Property Insights of 22-Hydroxycholest-4-en-3-one
The XLogP value of 6.5677 indicates that 22-Hydroxycholest-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 37.3 Ų, 22-Hydroxycholest-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-Hydroxycholest-4-en-3-one 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-Hydroxycholest-4-en-3-one?
The CAS number of 22-Hydroxycholest-4-en-3-one is 60881-76-7.
What is the molecular formula of 22-Hydroxycholest-4-en-3-one?
The molecular formula of 22-Hydroxycholest-4-en-3-one is C27H44O2.
What is the molecular weight of 22-Hydroxycholest-4-en-3-one?
The molecular weight of 22-Hydroxycholest-4-en-3-one is 400.33 g/mol.
Where can I buy 22-Hydroxycholest-4-en-3-one?
You can request a quote for 22-Hydroxycholest-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 22-Hydroxycholest-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 22-Hydroxycholest-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.