21-Acetoxypregnenolone
TL;DR: 21-Acetoxypregnenolone (CAS 63507-00-6) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Acetoxanon, 21-ACETOXYPREGNENOLONE, Artisone acetate, Artisone, Prebediolone acetate
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 63507-00-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)[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 |
| InChIKey | MDJRZSNPHZEMJH-MTMZYOSNSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-Acetoxypregnenolone (CAS 63507-00-6), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: [2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 21-Acetoxypregnenolone
Property Insights of 21-Acetoxypregnenolone
The XLogP value of 4.1 indicates that 21-Acetoxypregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Acetoxypregnenolone. Following Lipinski's Rule of Five, 21-Acetoxypregnenolone has 1 hydrogen bond donor(s) and 4 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 21-Acetoxypregnenolone?
The CAS number of 21-Acetoxypregnenolone is 63507-00-6.
What is the molecular formula of 21-Acetoxypregnenolone?
The molecular formula of 21-Acetoxypregnenolone is C23H34O4.
What is the molecular weight of 21-Acetoxypregnenolone?
The molecular weight of 21-Acetoxypregnenolone is 374.25 g/mol.
Where can I buy 21-Acetoxypregnenolone?
You can request a quote for 21-Acetoxypregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Acetoxypregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 21-Acetoxypregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.