Prednisolone 17-acetate
TL;DR: Prednisolone 17-acetate (CAS 53666-75-4) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Prednisolone 17-acetate, Prednisolon-17-acetat, Budesonide Impurity 50, Prednisolone-17-acetate, A-monoacetat
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 53666-75-4 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO |
| InChIKey | YCEQGEMYOUCHON-JZYPGELDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prednisolone 17-acetate (CAS 53666-75-4), with molecular formula C23H30O6 and molecular weight 402.20 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Prednisolone 17-acetate
Property Insights of Prednisolone 17-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prednisolone 17-acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prednisolone 17-acetate. Following Lipinski's Rule of Five, Prednisolone 17-acetate has 2 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 Prednisolone 17-acetate?
The CAS number of Prednisolone 17-acetate is 53666-75-4.
What is the molecular formula of Prednisolone 17-acetate?
The molecular formula of Prednisolone 17-acetate is C23H30O6.
What is the molecular weight of Prednisolone 17-acetate?
The molecular weight of Prednisolone 17-acetate is 402.20 g/mol.
Where can I buy Prednisolone 17-acetate?
You can request a quote for Prednisolone 17-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednisolone 17-acetate?
Yes, KEHONG BIO provides custom synthesis services for Prednisolone 17-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.