(11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
TL;DR: (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione (CAS 3044-42-6) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Budesonide Impurity 32, Budesonide Impurity 16, KST-1A3744, 11beta,21-Dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate, (11b)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
| Molecular Formula | C23H28O5 |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.19366 |
| Heavy Atoms | 28 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 3044-42-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C |
| InChIKey | ABGUZAVIFZZDDZ-MHYQPVDNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione (CAS 3044-42-6), with molecular formula C23H28O5 and molecular weight 384.19 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
Property Insights of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione. Following Lipinski's Rule of Five, (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione 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 (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione?
The CAS number of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione is 3044-42-6.
What is the molecular formula of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione?
The molecular formula of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione is C23H28O5.
What is the molecular weight of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione?
The molecular weight of (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione is 384.19 g/mol.
Where can I buy (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione?
You can request a quote for (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for (11beta)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.