11,20-Dioxopregnan-3-yl acetate
TL;DR: 11,20-Dioxopregnan-3-yl acetate (CAS 1610-52-2) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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) acetate
Also Known As: 11,20-Dioxopregnan-3-yl acetate, 5.beta.-Pregnane-11, 3.alpha.-hydroxy-, acetate, Pregnane-11, 3-(acetyloxy)-, (3.alpha.,5.beta.)-, (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) acetate
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 1610-52-2 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | NNMJHVBZUSISMC-UHFFFAOYSA-N |
Product Overview
11,20-Dioxopregnan-3-yl acetate (CAS 1610-52-2), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: (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) acetate.
Chemical Property Profile of 11,20-Dioxopregnan-3-yl acetate
Property Insights of 11,20-Dioxopregnan-3-yl acetate
The XLogP value of 3.8 indicates that 11,20-Dioxopregnan-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,20-Dioxopregnan-3-yl acetate. Following Lipinski's Rule of Five, 11,20-Dioxopregnan-3-yl acetate has 0 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 11,20-Dioxopregnan-3-yl acetate?
The CAS number of 11,20-Dioxopregnan-3-yl acetate is 1610-52-2.
What is the molecular formula of 11,20-Dioxopregnan-3-yl acetate?
The molecular formula of 11,20-Dioxopregnan-3-yl acetate is C23H34O4.
What is the molecular weight of 11,20-Dioxopregnan-3-yl acetate?
The molecular weight of 11,20-Dioxopregnan-3-yl acetate is 374.25 g/mol.
Where can I buy 11,20-Dioxopregnan-3-yl acetate?
You can request a quote for 11,20-Dioxopregnan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,20-Dioxopregnan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 11,20-Dioxopregnan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.