21-Deoxyaldosterone
TL;DR: 21-Deoxyaldosterone (CAS 47417-48-1) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13R,14S,17S)-17-acetyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
Also Known As: 21-Deoxyaldosterone, 21-Desoxyaldosterone, Benzothiazole 6-hydrazino-9CI, 11beta-Hydroxy-3,20-dioxopregn-4-en-18-al, 11-Hydroxy-3,20-dioxopregn-4-en-18-al
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 47417-48-1 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C=O |
| InChIKey | IOKVWBWSLVVBRO-HXOHHMPKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-Deoxyaldosterone (CAS 47417-48-1), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (8S,9S,10R,11S,13R,14S,17S)-17-acetyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde.
Chemical Property Profile of 21-Deoxyaldosterone
Property Insights of 21-Deoxyaldosterone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Deoxyaldosterone. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Deoxyaldosterone. Following Lipinski's Rule of Five, 21-Deoxyaldosterone 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-Deoxyaldosterone?
The CAS number of 21-Deoxyaldosterone is 47417-48-1.
What is the molecular formula of 21-Deoxyaldosterone?
The molecular formula of 21-Deoxyaldosterone is C21H28O4.
What is the molecular weight of 21-Deoxyaldosterone?
The molecular weight of 21-Deoxyaldosterone is 344.20 g/mol.
Where can I buy 21-Deoxyaldosterone?
You can request a quote for 21-Deoxyaldosterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Deoxyaldosterone?
Yes, KEHONG BIO provides custom synthesis services for 21-Deoxyaldosterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.