Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate
TL;DR: Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate (CAS 53187-58-9) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Colifoam, Cortell, hydrocortisone acetate, 5'-O-tosyl-2',3'-isopropylidene-inosine, J3.028.537I
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 53187-58-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O |
| InChIKey | ALEXXDVDDISNDU-PBSBYMMBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate (CAS 53187-58-9), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate
Property Insights of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate 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 Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate?
The CAS number of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate is 53187-58-9.
What is the molecular formula of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate?
The molecular formula of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate is C23H32O6.
What is the molecular weight of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate?
The molecular weight of Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate is 404.22 g/mol.
Where can I buy Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate?
You can request a quote for Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.