![4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate structure](/static/products/5310/53-10-1.webp)
4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate
TL;DR: 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate (CAS 53-10-1) is a chemical compound with molecular formula C25H35O6- and molecular weight 431.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoate
Also Known As: HYDROXYDIONESODIUM, 4-[(3,20-dioxopregnan-21-yl)oxy]-4-oxobutanoate, 4-[2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoate
| Molecular Formula | C25H35O6- |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 2.8568 |
| Topological Polar Surface Area | 100.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.24338 |
| Heavy Atoms | 31 |
| Complexity | 773.9739 |
Chemical Identifiers
| CAS Number | 53-10-1 |
|---|---|
| SMILES | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4C(=O)COC(=O)CCC(=O)[O-])C |
Product Overview
4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate (CAS 53-10-1), with molecular formula C25H35O6- and molecular weight 431.24 g/mol. IUPAC: 4-[2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoate.
Chemical Property Profile of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate
Property Insights of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate
The XLogP value of 2.8568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate. The TPSA of 100.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate. Following Lipinski's Rule of Five, 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate has 0 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-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate?
The CAS number of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate is 53-10-1.
What is the molecular formula of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate?
The molecular formula of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate is C25H35O6-.
What is the molecular weight of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate?
The molecular weight of 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate is 431.24 g/mol.
Where can I buy 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate?
You can request a quote for 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,20-Dioxopregnan-21-yl)oxy]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.