17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
TL;DR: 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one (CAS 566-52-9) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: NIOSH/BV8058700, 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one, 17-Hydroxy-2-(hydroxymethyl)androstan-3-one, J2.791.761E, 2-alpha-Hydroxymethyl-17-beta-hydroxyandrostan-3-one
| Molecular Formula | C20H32O3 |
|---|---|
| Molecular Weight | 320.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.23514 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 566-52-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)CO)C |
| InChIKey | OKOKLFXLKDXQOK-VDBAHQDGSA-N |
Product Overview
17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one (CAS 566-52-9), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
Property Insights of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
The XLogP value of 3.6 indicates that 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one?
The CAS number of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one is 566-52-9.
What is the molecular formula of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one?
The molecular formula of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one is C20H32O3.
What is the molecular weight of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one?
The molecular weight of 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one is 320.24 g/mol.
Where can I buy 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one?
You can request a quote for 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.