Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-
TL;DR: Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- (CAS 81910-30-7) is a chemical compound with molecular formula C29H42O6 and molecular weight 486.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate
Also Known As: Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-, 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl octanoate, [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate
| Molecular Formula | C29H42O6 |
|---|---|
| Molecular Weight | 486.30 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.29813 |
| Heavy Atoms | 35 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 81910-30-7 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| InChIKey | RJVIXFKYVZSGSY-BLQUQLGXSA-N |
Product Overview
Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- (CAS 81910-30-7), with molecular formula C29H42O6 and molecular weight 486.30 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate.
Chemical Property Profile of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-
Property Insights of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-
The XLogP value of 5.1 indicates that Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- 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 Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-. Following Lipinski's Rule of Five, Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-?
The CAS number of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- is 81910-30-7.
What is the molecular formula of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-?
The molecular formula of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- is C29H42O6.
What is the molecular weight of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-?
The molecular weight of Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- is 486.30 g/mol.
Where can I buy Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-?
You can request a quote for Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxooctyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.