11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
TL;DR: 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate (CAS 15180-00-4) is a chemical compound with molecular formula C26H36O6 and molecular weight 444.2512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[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] pentanoate
Also Known As: PREDNIVAL, Prednival [USAN], Prednisolone 17-valerate, W 4869, 11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H36O6 |
| Molecular Weight | 444.2512 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.2512 Da |
| Heavy Atoms | 32 |
| Complexity | 874.0 |
| SMILES | CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)CO |
| InChIKey | BOFKYYWJAOZDPB-UHFFFAOYSA-N |
Chemical Property Profile of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
Property Insights of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate
The XLogP value of 4.0 indicates that 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate. Following Lipinski's Rule of Five, 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate 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
What is the CAS number of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate?
The CAS number of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate is 15180-00-4.
What is the molecular formula of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate?
The molecular formula of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate is C26H36O6.
What is the molecular weight of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate?
The molecular weight of 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate is 444.2512 g/mol.
Where can I buy 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate?
You can request a quote for 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate?
Yes, CoreyChem provides custom synthesis services for 11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.