![4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid structure](/static/products/1920/1920-71-4.webp)
4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid
TL;DR: 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid (CAS 1920-71-4) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid, 4-{[(3, A,5, A)-11,20-dioxopregnan-3-yl]oxy}-4-oxobutanoic acid, 4-[(11,20-Dioxo-5beta-pregnan-3alpha-yl)oxy]-4-oxobutanoic acid
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 1920-71-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCC(=O)O)C)C |
| InChIKey | RKPBFMBKINKTPB-MEFNBDQCSA-N |
Product Overview
4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid (CAS 1920-71-4), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: 4-[[(3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid
Property Insights of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid
The XLogP value of 3.2 indicates that 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 6 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 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid?
The CAS number of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid is 1920-71-4.
What is the molecular formula of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid?
The molecular formula of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid is C25H36O6.
What is the molecular weight of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid?
The molecular weight of 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid is 432.25 g/mol.
Where can I buy 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid?
You can request a quote for 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(11,20-Dioxopregnan-3-yl)oxy]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.