21-Hydroxypregna-1,4-diene-3,11,20-trione
TL;DR: 21-Hydroxypregna-1,4-diene-3,11,20-trione (CAS 67067-81-6) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: 21-Hydroxypregna-1,4-diene-3,11,20-trione, Sid 769259, Pregna-1,4-diene-3,11,20-trione, 21-hydroxy-, (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione, (1S,3aS,3bS,9aR,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 67067-81-6 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)C=C[C@]34C |
| InChIKey | HPXOYVSJRIINKV-KJQYFISQSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-Hydroxypregna-1,4-diene-3,11,20-trione (CAS 67067-81-6), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 21-Hydroxypregna-1,4-diene-3,11,20-trione
Property Insights of 21-Hydroxypregna-1,4-diene-3,11,20-trione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Hydroxypregna-1,4-diene-3,11,20-trione. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Hydroxypregna-1,4-diene-3,11,20-trione. Following Lipinski's Rule of Five, 21-Hydroxypregna-1,4-diene-3,11,20-trione has 1 hydrogen bond donor(s) and 4 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 21-Hydroxypregna-1,4-diene-3,11,20-trione?
The CAS number of 21-Hydroxypregna-1,4-diene-3,11,20-trione is 67067-81-6.
What is the molecular formula of 21-Hydroxypregna-1,4-diene-3,11,20-trione?
The molecular formula of 21-Hydroxypregna-1,4-diene-3,11,20-trione is C21H26O4.
What is the molecular weight of 21-Hydroxypregna-1,4-diene-3,11,20-trione?
The molecular weight of 21-Hydroxypregna-1,4-diene-3,11,20-trione is 342.18 g/mol.
Where can I buy 21-Hydroxypregna-1,4-diene-3,11,20-trione?
You can request a quote for 21-Hydroxypregna-1,4-diene-3,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Hydroxypregna-1,4-diene-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for 21-Hydroxypregna-1,4-diene-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.