Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-
TL;DR: Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- (CAS 80690-23-9) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] butanoate
Also Known As: Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-, Pregn-4-ene-3,11,20-trione,21-hydroxy-17-(1-oxobutoxy)-, (8S,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 3.3408 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 858.07355 |
Chemical Identifiers
| CAS Number | 80690-23-9 |
|---|---|
| SMILES | CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO |
Product Overview
Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- (CAS 80690-23-9), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: [(8S,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] butanoate.
Chemical Property Profile of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-
Property Insights of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-
The XLogP value of 3.3408 indicates that Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-. Following Lipinski's Rule of Five, Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- 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 Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-?
The CAS number of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- is 80690-23-9.
What is the molecular formula of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-?
The molecular formula of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- is C25H34O6.
What is the molecular weight of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-?
The molecular weight of Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- is 430.24 g/mol.
Where can I buy Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)-?
You can request a quote for Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- 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, 21-hydroxy-17-(1-oxobutoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,11,20-trione, 21-hydroxy-17-(1-oxobutoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.