17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate
TL;DR: 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate (CAS 3593-92-8) is a chemical compound with molecular formula C28H40O6 and molecular weight 472.28 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] heptanoate
Also Known As: 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate, 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl heptanoate, 17,21-dihydroxypregn-4-ene-3,11,20-trione21-heptanoate, 17-Hydroxy-21-[(1-oxoheptyl)oxy]pregn-4-ene-3,11,20-trione, Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-((1-oxoheptyl)oxy)-
| Molecular Formula | C28H40O6 |
|---|---|
| Molecular Weight | 472.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.2825 |
| Heavy Atoms | 34 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 3593-92-8 |
|---|---|
| SMILES | CCCCCCC(=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 | FCPICBCSNRSSEJ-JGCKISFHSA-N |
Product Overview
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate (CAS 3593-92-8), with molecular formula C28H40O6 and molecular weight 472.28 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] heptanoate.
Chemical Property Profile of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate
Property Insights of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate
The XLogP value of 4.6 indicates that 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate 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 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate. Following Lipinski's Rule of Five, 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate 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 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate?
The CAS number of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate is 3593-92-8.
What is the molecular formula of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate?
The molecular formula of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate is C28H40O6.
What is the molecular weight of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate?
The molecular weight of 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate is 472.28 g/mol.
Where can I buy 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate?
You can request a quote for 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.