Methyl 17,20-acetonidodihydroprednisolonate
TL;DR: Methyl 17,20-acetonidodihydroprednisolonate (CAS 5331-04-4) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R,8'S,9'S,10'R,11'S,13'S,14'S)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate
Also Known As: MADHP, Methyl 17,20-acetonidodihydroprednisolonate, methyl(5'r,8s,9s,10r,11s,13s,14s)-11-hydroxy-2',2',10,13-tetramethyl-3-oxo-3,6,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolane]-5'-carboxylate, Methyl (3aS,3bS,5'R,9aR,9bS,10S,11aS)-10-hydroxy-2',2',9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,4'-[1,3]dioxolane]-5'-carboxylate, methyl (4R,8'S,9'S,10'R,11'S,13'S,14'S)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 5331-04-4 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC24[C@@H](OC(O4)(C)C)C(=O)OC)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | LWQQNBKTKLISOW-OMSFKJGZSA-N |
Product Overview
Methyl 17,20-acetonidodihydroprednisolonate (CAS 5331-04-4), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: methyl (4R,8'S,9'S,10'R,11'S,13'S,14'S)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate.
Chemical Property Profile of Methyl 17,20-acetonidodihydroprednisolonate
Property Insights of Methyl 17,20-acetonidodihydroprednisolonate
The XLogP value of 3.0 indicates that Methyl 17,20-acetonidodihydroprednisolonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 17,20-acetonidodihydroprednisolonate. Following Lipinski's Rule of Five, Methyl 17,20-acetonidodihydroprednisolonate 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 Methyl 17,20-acetonidodihydroprednisolonate?
The CAS number of Methyl 17,20-acetonidodihydroprednisolonate is 5331-04-4.
What is the molecular formula of Methyl 17,20-acetonidodihydroprednisolonate?
The molecular formula of Methyl 17,20-acetonidodihydroprednisolonate is C25H34O6.
What is the molecular weight of Methyl 17,20-acetonidodihydroprednisolonate?
The molecular weight of Methyl 17,20-acetonidodihydroprednisolonate is 430.24 g/mol.
Where can I buy Methyl 17,20-acetonidodihydroprednisolonate?
You can request a quote for Methyl 17,20-acetonidodihydroprednisolonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 17,20-acetonidodihydroprednisolonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 17,20-acetonidodihydroprednisolonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.