Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate
TL;DR: Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate (CAS 1323-57-5) is a chemical compound with molecular formula C24H30O6 and molecular weight 414.20 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)-17-(hydroxymethyl)-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate, 17,21-Dihydroxymethylpregna-1,4-diene-3,11,20-trione acetate, 21-(Acetyloxy)-17-hydroxymethylpregna-1,4-diene-3,11,20-trione, Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxymethyl-, 17-(Hydroxymethyl)-3,11,20-trioxopregna-1,4-dien-21-yl acetate
| Molecular Formula | C24H30O6 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 2.5842 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.20422 |
| Heavy Atoms | 30 |
| Complexity | 884.127 |
Chemical Identifiers
| CAS Number | 1323-57-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)CO |
Product Overview
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate (CAS 1323-57-5), with molecular formula C24H30O6 and molecular weight 414.20 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate
Property Insights of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate
The XLogP value of 2.5842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate. Following Lipinski's Rule of Five, Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate 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 Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate?
The CAS number of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate is 1323-57-5.
What is the molecular formula of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate?
The molecular formula of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate is C24H30O6.
What is the molecular weight of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate?
The molecular weight of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate is 414.20 g/mol.
Where can I buy Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate?
You can request a quote for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.