11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate
TL;DR: 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate (CAS 1107-99-9) is a chemical compound with molecular formula C26H36O6 and molecular weight 444.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate
Also Known As: Mecortolon, PREDNISOLONE PIVALATE, Prednisolone 21-trimethylacetate, 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate, 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
| Molecular Formula | C26H36O6 |
|---|---|
| Molecular Weight | 444.25 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.2512 |
| Heavy Atoms | 32 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 1107-99-9 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=CC34C)O |
| InChIKey | PHEOVVDXTQVHAZ-UHFFFAOYSA-N |
Product Overview
11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate (CAS 1107-99-9), with molecular formula C26H36O6 and molecular weight 444.25 g/mol. IUPAC: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate.
Chemical Property Profile of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate
Property Insights of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate
The XLogP value of 3.8 indicates that 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate 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 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate. Following Lipinski's Rule of Five, 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate 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 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate?
The CAS number of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate is 1107-99-9.
What is the molecular formula of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate?
The molecular formula of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate is C26H36O6.
What is the molecular weight of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate?
The molecular weight of 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate is 444.25 g/mol.
Where can I buy 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate?
You can request a quote for 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate?
Yes, KEHONG BIO provides custom synthesis services for 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.