Methylprednisolone Aceponate
TL;DR: Methylprednisolone Aceponate (CAS 86401-95-8) is a chemical compound with molecular formula C27H36O7 and molecular weight 472.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
Also Known As: Methylprednisolone aceponate, Advantan, Adventan, methylprednisolone, Lexxema
| Molecular Formula | C27H36O7 |
|---|---|
| Molecular Weight | 472.25 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.2461 |
| Heavy Atoms | 34 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 86401-95-8 |
|---|---|
| SMILES | CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C |
| InChIKey | DALKLAYLIPSCQL-YPYQNWSCSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylprednisolone Aceponate (CAS 86401-95-8), with molecular formula C27H36O7 and molecular weight 472.25 g/mol. IUPAC: [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate.
Chemical Property Profile of Methylprednisolone Aceponate
Property Insights of Methylprednisolone Aceponate
The XLogP value of 3.8 indicates that Methylprednisolone Aceponate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylprednisolone Aceponate. Following Lipinski's Rule of Five, Methylprednisolone Aceponate has 1 hydrogen bond donor(s) and 7 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 Methylprednisolone Aceponate?
The CAS number of Methylprednisolone Aceponate is 86401-95-8.
What is the molecular formula of Methylprednisolone Aceponate?
The molecular formula of Methylprednisolone Aceponate is C27H36O7.
What is the molecular weight of Methylprednisolone Aceponate?
The molecular weight of Methylprednisolone Aceponate is 472.25 g/mol.
Where can I buy Methylprednisolone Aceponate?
You can request a quote for Methylprednisolone Aceponate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylprednisolone Aceponate?
Yes, KEHONG BIO provides custom synthesis services for Methylprednisolone Aceponate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.