21-Hydroxy-3,20-dioxopregn-4-en-19-al
TL;DR: 21-Hydroxy-3,20-dioxopregn-4-en-19-al (CAS 75220-37-0) 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,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: 19-Oxo-deoxycorticosterone, 19-Oxodeoxycorticosterone, 19-Oxo-11-deoxycorticosterone, 21-hydroxy-3,20-dioxopregn-4-en-19-al, 21-Hydroxy-4-pregnen-3,19,20-trione
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 75220-37-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C=O |
| InChIKey | PDNIPWXQYQYCSU-ZOCXKQACSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-Hydroxy-3,20-dioxopregn-4-en-19-al (CAS 75220-37-0), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 21-Hydroxy-3,20-dioxopregn-4-en-19-al
Property Insights of 21-Hydroxy-3,20-dioxopregn-4-en-19-al
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Hydroxy-3,20-dioxopregn-4-en-19-al. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Hydroxy-3,20-dioxopregn-4-en-19-al. Following Lipinski's Rule of Five, 21-Hydroxy-3,20-dioxopregn-4-en-19-al 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-Hydroxy-3,20-dioxopregn-4-en-19-al?
The CAS number of 21-Hydroxy-3,20-dioxopregn-4-en-19-al is 75220-37-0.
What is the molecular formula of 21-Hydroxy-3,20-dioxopregn-4-en-19-al?
The molecular formula of 21-Hydroxy-3,20-dioxopregn-4-en-19-al is C21H28O4.
What is the molecular weight of 21-Hydroxy-3,20-dioxopregn-4-en-19-al?
The molecular weight of 21-Hydroxy-3,20-dioxopregn-4-en-19-al is 344.20 g/mol.
Where can I buy 21-Hydroxy-3,20-dioxopregn-4-en-19-al?
You can request a quote for 21-Hydroxy-3,20-dioxopregn-4-en-19-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Hydroxy-3,20-dioxopregn-4-en-19-al?
Yes, KEHONG BIO provides custom synthesis services for 21-Hydroxy-3,20-dioxopregn-4-en-19-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.