Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate
TL;DR: Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate (CAS 97232-42-3) 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 (2R)-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, Methyl 20alpha-dihydroprednisolonate, Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate, methyl 11, A,17
| 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 | 97232-42-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](C(=O)OC)O)O)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | KGGJWTUYUOSWNH-YQDIQNDHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate (CAS 97232-42-3), with molecular formula C22H30O6 and molecular weight 390.20 g/mol. IUPAC: methyl (2R)-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 (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate
Property Insights of Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate. Following Lipinski's Rule of Five, Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate 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 (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate?
The CAS number of Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate is 97232-42-3.
What is the molecular formula of Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate?
The molecular formula of Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate is C22H30O6.
What is the molecular weight of Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate?
The molecular weight of Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate is 390.20 g/mol.
Where can I buy Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate?
You can request a quote for Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.