3,20-dioxo-4-pregnen-21-al
TL;DR: 3,20-dioxo-4-pregnen-21-al (CAS 853-27-0) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
Also Known As: 3,20-dioxo-4-pregnen-21-al, 3,20-Dioxopregn-4-en-21-al, 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde, 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 853-27-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C=O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | FXJQDFFSUVVCMK-YFWFAHHUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,20-dioxo-4-pregnen-21-al (CAS 853-27-0), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde.
Chemical Property Profile of 3,20-dioxo-4-pregnen-21-al
Property Insights of 3,20-dioxo-4-pregnen-21-al
The XLogP value of 3.5 indicates that 3,20-dioxo-4-pregnen-21-al is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 3,20-dioxo-4-pregnen-21-al exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,20-dioxo-4-pregnen-21-al 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 3,20-dioxo-4-pregnen-21-al?
The CAS number of 3,20-dioxo-4-pregnen-21-al is 853-27-0.
What is the molecular formula of 3,20-dioxo-4-pregnen-21-al?
The molecular formula of 3,20-dioxo-4-pregnen-21-al is C21H28O3.
What is the molecular weight of 3,20-dioxo-4-pregnen-21-al?
The molecular weight of 3,20-dioxo-4-pregnen-21-al is 328.20 g/mol.
Where can I buy 3,20-dioxo-4-pregnen-21-al?
You can request a quote for 3,20-dioxo-4-pregnen-21-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,20-dioxo-4-pregnen-21-al?
Yes, KEHONG BIO provides custom synthesis services for 3,20-dioxo-4-pregnen-21-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.