Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate
TL;DR: Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate (CAS 6318-87-2) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 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,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate
Also Known As: Mohdop, methyl 17-deoxyprednisolonate, Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate, methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate, Methyl (11beta)-11-hydroxy-3,20-dioxopregna-1,4-dien-21-oate
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 6318-87-2 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C(=O)OC)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | JZCOBGHTAHKMBZ-CNUHWHHESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate (CAS 6318-87-2), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate.
Chemical Property Profile of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate
Property Insights of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate. Following Lipinski's Rule of Five, Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate has 1 hydrogen bond donor(s) and 5 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 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate?
The CAS number of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate is 6318-87-2.
What is the molecular formula of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate?
The molecular formula of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate is C22H28O5.
What is the molecular weight of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate?
The molecular weight of Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate is 372.19 g/mol.
Where can I buy Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate?
You can request a quote for Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-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 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.