Methyl 20-dihydroprednisolonate
TL;DR: Methyl 20-dihydroprednisolonate (CAS 57073-19-5) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.20 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-hydroxyacetate
Also Known As: Methyl 20-dihydroprednisolonate, J1.697.673C, 11,17,20,20-Tetrahydroxy-3-oxo-pregna-1,4-dien-21-oic acid methyl ester, 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-hydroxyacetate, 1-methyl-3-[2-(pyrazin-2-ylmethylsulfanyl)ethyl]thiourea
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 57073-19-5 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(C(=O)OC)O)O)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | KGGJWTUYUOSWNH-LQDASQSRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 20-dihydroprednisolonate (CAS 57073-19-5), with molecular formula C22H30O6 and molecular weight 390.20 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-hydroxyacetate.
Chemical Property Profile of Methyl 20-dihydroprednisolonate
Property Insights of Methyl 20-dihydroprednisolonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 20-dihydroprednisolonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 20-dihydroprednisolonate. Following Lipinski's Rule of Five, Methyl 20-dihydroprednisolonate has 3 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 20-dihydroprednisolonate?
The CAS number of Methyl 20-dihydroprednisolonate is 57073-19-5.
What is the molecular formula of Methyl 20-dihydroprednisolonate?
The molecular formula of Methyl 20-dihydroprednisolonate is C22H30O6.
What is the molecular weight of Methyl 20-dihydroprednisolonate?
The molecular weight of Methyl 20-dihydroprednisolonate is 390.20 g/mol.
Where can I buy Methyl 20-dihydroprednisolonate?
You can request a quote for Methyl 20-dihydroprednisolonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 20-dihydroprednisolonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 20-dihydroprednisolonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.