Prednisone acetate
TL;DR: Prednisone acetate (CAS 125-10-0) is a chemical compound with molecular formula C23H28O6 and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Prednisone acetate, Prednisone 21-acetate, Cortancyl, Delcortin, Nisone
| Molecular Formula | C23H28O6 |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1886 |
| Heavy Atoms | 29 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 125-10-0 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O |
| InChIKey | MOVRKLZUVNCBIP-RFZYENFJSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prednisone acetate (CAS 125-10-0), with molecular formula C23H28O6 and molecular weight 400.19 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Prednisone acetate
Property Insights of Prednisone acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prednisone acetate. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Prednisone acetate. Following Lipinski's Rule of Five, Prednisone acetate has 1 hydrogen bond donor(s) and 6 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 Prednisone acetate?
The CAS number of Prednisone acetate is 125-10-0.
What is the molecular formula of Prednisone acetate?
The molecular formula of Prednisone acetate is C23H28O6.
What is the molecular weight of Prednisone acetate?
The molecular weight of Prednisone acetate is 400.19 g/mol.
Where can I buy Prednisone acetate?
You can request a quote for Prednisone acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednisone acetate?
Yes, KEHONG BIO provides custom synthesis services for Prednisone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.