17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate
TL;DR: 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate (CAS 4062-46-8) is a chemical compound with molecular formula C22H34O3 and molecular weight 346.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: KST-1A4820, EC 223-768-0, (1, A,5, A,17
| Molecular Formula | C22H34O3 |
|---|---|
| Molecular Weight | 346.25 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.2508 |
| Heavy Atoms | 25 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 4062-46-8 |
|---|---|
| SMILES | C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C)C)C |
| InChIKey | ZWCXCOXAEJHAHA-FVFBOZGUSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate (CAS 4062-46-8), with molecular formula C22H34O3 and molecular weight 346.25 g/mol. IUPAC: [(1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate
Property Insights of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate
The XLogP value of 4.7 indicates that 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate has 0 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-1alpha-methyl-5-alphaandrostan-3-one acetate?
The CAS number of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate is 4062-46-8.
What is the molecular formula of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate?
The molecular formula of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate is C22H34O3.
What is the molecular weight of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate?
The molecular weight of 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate is 346.25 g/mol.
Where can I buy 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate?
You can request a quote for 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Hydroxy-1alpha-methyl-5-alphaandrostan-3-one acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.