17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate
TL;DR: 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate (CAS 6424-28-8) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] acetate
Also Known As: 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate, 20-(Acetyloxy)-17-hydroxy-3-oxopregn-4-en-21-yl acetate, 4-Pregnene-17alpha,20beta,21-triol-3-one 20,21-diacetate, Pregn-4-en-3-one,20.beta.,21-trihydroxy-, 20,21-diacetate, Pregn-4-en-3-one,21-bis(acetyloxy)-17-hydroxy-, (20R)-
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 6424-28-8 |
|---|---|
| SMILES | CC(=O)OCC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OC(=O)C |
| InChIKey | DTAHVNJOQVGRGJ-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate (CAS 6424-28-8), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: [2-acetyloxy-2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] acetate.
Chemical Property Profile of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate
Property Insights of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate. Following Lipinski's Rule of Five, 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate 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-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate?
The CAS number of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate is 6424-28-8.
What is the molecular formula of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate?
The molecular formula of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate is C25H36O6.
What is the molecular weight of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate?
The molecular weight of 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate is 432.25 g/mol.
Where can I buy 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate?
You can request a quote for 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3-oxopregn-4-ene-20,21-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.