17-Hydroxycholest-4-en-3-one
TL;DR: 17-Hydroxycholest-4-en-3-one (CAS 19440-41-6) 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.
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17-Hydroxycholest-4-en-3-one, Cholest-4-en-3-one,17-hydroxy- (9CI), 2-Piperidinecarboxaldehyde,1-(phenylmethyl), (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-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 | 678.0 |
Chemical Identifiers
| CAS Number | 19440-41-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| InChIKey | JPZQAAAKHXFVKO-AHXUHXIQSA-N |
Product Overview
17-Hydroxycholest-4-en-3-one (CAS 19440-41-6), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-Hydroxycholest-4-en-3-one
Property Insights of 17-Hydroxycholest-4-en-3-one
The XLogP value of 6.6 indicates that 17-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, 17-Hydroxycholest-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-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 17-Hydroxycholest-4-en-3-one?
The CAS number of 17-Hydroxycholest-4-en-3-one is 19440-41-6.
What is the molecular formula of 17-Hydroxycholest-4-en-3-one?
The molecular formula of 17-Hydroxycholest-4-en-3-one is C27H44O2.
What is the molecular weight of 17-Hydroxycholest-4-en-3-one?
The molecular weight of 17-Hydroxycholest-4-en-3-one is 400.33 g/mol.
Where can I buy 17-Hydroxycholest-4-en-3-one?
You can request a quote for 17-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 17-Hydroxycholest-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxycholest-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.