Pregna-1,4-diene-3,11,20-trione
TL;DR: Pregna-1,4-diene-3,11,20-trione (CAS 4368-11-0) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 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-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Pregna-1,4-diene-3,11,20-trione, Pregna-1,11,20-trione, 1,4-pregnadien-3,11,20-trion, Pregn-1,4-diene-3,11,20-trione, (8S,9S,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-7,8,9,12,14
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 4368-11-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C |
| InChIKey | YZZVVLUNOZJXCM-DADBAOPHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregna-1,4-diene-3,11,20-trione (CAS 4368-11-0), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of Pregna-1,4-diene-3,11,20-trione
Property Insights of Pregna-1,4-diene-3,11,20-trione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregna-1,4-diene-3,11,20-trione. With a topological polar surface area (TPSA) of 51.2 Ų, Pregna-1,4-diene-3,11,20-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregna-1,4-diene-3,11,20-trione has 0 hydrogen bond donor(s) and 3 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 Pregna-1,4-diene-3,11,20-trione?
The CAS number of Pregna-1,4-diene-3,11,20-trione is 4368-11-0.
What is the molecular formula of Pregna-1,4-diene-3,11,20-trione?
The molecular formula of Pregna-1,4-diene-3,11,20-trione is C21H26O3.
What is the molecular weight of Pregna-1,4-diene-3,11,20-trione?
The molecular weight of Pregna-1,4-diene-3,11,20-trione is 326.19 g/mol.
Where can I buy Pregna-1,4-diene-3,11,20-trione?
You can request a quote for Pregna-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 Pregna-1,4-diene-3,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-3,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.