Methyl prednisolonate
TL;DR: Methyl prednisolonate (CAS 57072-99-8) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetate
Also Known As: Methyl prednisolonate, Methylprednisolonate, Methylpredonisolonate, methyl 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetate, Methyl 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-oate
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.19 g/mol |
| LogP | 1.7383 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 811.8446 |
Chemical Identifiers
| CAS Number | 57072-99-8 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)C(=O)OC)O)CCC4=CC(=O)C=C[C@]34C)O |
Product Overview
Methyl prednisolonate (CAS 57072-99-8), with molecular formula C22H28O6 and molecular weight 388.19 g/mol. IUPAC: methyl 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetate.
Chemical Property Profile of Methyl prednisolonate
Property Insights of Methyl prednisolonate
The XLogP value of 1.7383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl prednisolonate. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl prednisolonate. Following Lipinski's Rule of Five, Methyl prednisolonate 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 Methyl prednisolonate?
The CAS number of Methyl prednisolonate is 57072-99-8.
What is the molecular formula of Methyl prednisolonate?
The molecular formula of Methyl prednisolonate is C22H28O6.
What is the molecular weight of Methyl prednisolonate?
The molecular weight of Methyl prednisolonate is 388.19 g/mol.
Where can I buy Methyl prednisolonate?
You can request a quote for Methyl prednisolonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl prednisolonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl prednisolonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.