3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate
TL;DR: 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate (CAS 2802-19-9) is a chemical compound with molecular formula C26H35F3O4 and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-6-(trifluoromethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate, 3-ethoxy-17-hydroxy-6- pregna-3,5-diene-20-oneacetate, 3-ethoxy-20-oxo-6-(trifluoromethyl)pregna-3,5-dien-17-yl acetate, [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-6-(trifluoromethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate, Acetic acid 3-ethoxy-20-oxo-6-(trifluoromethyl)pregna-3,5-dien-17-yl ester
| Molecular Formula | C26H35F3O4 |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.24875 |
| Heavy Atoms | 33 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 2802-19-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@]4(C(=O)C)OC(=O)C)C)C(F)(F)F |
| InChIKey | RFRZNGJBWJIQCF-DAHGFBLPSA-N |
Product Overview
3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate (CAS 2802-19-9), with molecular formula C26H35F3O4 and molecular weight 468.25 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-6-(trifluoromethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate
Property Insights of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate
The XLogP value of 5.0 indicates that 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate has 0 hydrogen bond donor(s) and 7 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 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate?
The CAS number of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate is 2802-19-9.
What is the molecular formula of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate?
The molecular formula of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate is C26H35F3O4.
What is the molecular weight of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate?
The molecular weight of 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate is 468.25 g/mol.
Where can I buy 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate?
You can request a quote for 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.