Prednisolone 17-valerate 11,21-diacetate
TL;DR: Prednisolone 17-valerate 11,21-diacetate (CAS 80447-56-9) is a chemical compound with molecular formula C30H40O8 and molecular weight 528.27 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-acetyloxy-17-(2-acetyloxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate
Also Known As: 11-Acetyl PVA, Prednisolone 17-valerate 11,21-diacetate, Prednisolone 11,21-Diacetate-17-Valerate, 11,21-Bis(acetyloxy)-11-hydroxy-1,7-((1-oxopentyl)oxy)pregna-1,4-diene-3,20-dione, 11,21-Bis(acetyloxy)-3,20-dioxopregna-1,4-dien-17-yl pentanoate
| Molecular Formula | C30H40O8 |
|---|---|
| Molecular Weight | 528.27 g/mol |
| LogP | 4.4403 |
| Topological Polar Surface Area | 113.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.27234 |
| Heavy Atoms | 38 |
| Complexity | 1087.811 |
Chemical Identifiers
| CAS Number | 80447-56-9 |
|---|---|
| SMILES | CCCCC(=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)OC(=O)C)C)C(=O)COC(=O)C |
Product Overview
Prednisolone 17-valerate 11,21-diacetate (CAS 80447-56-9), with molecular formula C30H40O8 and molecular weight 528.27 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-11-acetyloxy-17-(2-acetyloxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate.
Chemical Property Profile of Prednisolone 17-valerate 11,21-diacetate
Property Insights of Prednisolone 17-valerate 11,21-diacetate
The XLogP value of 4.4403 indicates that Prednisolone 17-valerate 11,21-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Prednisolone 17-valerate 11,21-diacetate. Following Lipinski's Rule of Five, Prednisolone 17-valerate 11,21-diacetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prednisolone 17-valerate 11,21-diacetate?
The CAS number of Prednisolone 17-valerate 11,21-diacetate is 80447-56-9.
What is the molecular formula of Prednisolone 17-valerate 11,21-diacetate?
The molecular formula of Prednisolone 17-valerate 11,21-diacetate is C30H40O8.
What is the molecular weight of Prednisolone 17-valerate 11,21-diacetate?
The molecular weight of Prednisolone 17-valerate 11,21-diacetate is 528.27 g/mol.
Where can I buy Prednisolone 17-valerate 11,21-diacetate?
You can request a quote for Prednisolone 17-valerate 11,21-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prednisolone 17-valerate 11,21-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Prednisolone 17-valerate 11,21-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.