(11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate
TL;DR: (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate (CAS 63468-41-7) is a chemical compound with molecular formula C25H31F3O7 and molecular weight 500.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] 2,2,2-trifluoroacetate
Also Known As: KST-1A6970, (11, A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate, Pregn-4-ene-3,20-dione,21-(acetyloxy)-17-hydroxy-11-[(triflu, 21-(Acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11beta-yl trifluoroacetate
| Molecular Formula | C25H31F3O7 |
|---|---|
| Molecular Weight | 500.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.20218 |
| Heavy Atoms | 35 |
| Complexity | 988.0 |
Chemical Identifiers
| CAS Number | 63468-41-7 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)C(F)(F)F)C)O |
| InChIKey | BAPGIVXYIWMZIY-ZJUZSDNKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate (CAS 63468-41-7), with molecular formula C25H31F3O7 and molecular weight 500.20 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] 2,2,2-trifluoroacetate.
Chemical Property Profile of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate
Property Insights of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate
The XLogP value of 3.9 indicates that (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate. Following Lipinski's Rule of Five, (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate?
The CAS number of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate is 63468-41-7.
What is the molecular formula of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate?
The molecular formula of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate is C25H31F3O7.
What is the molecular weight of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate?
The molecular weight of (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate is 500.20 g/mol.
Where can I buy (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate?
You can request a quote for (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for (11|A)-21-(acetyloxy)-17-hydroxy-3,20-dioxopregn-4-en-11-yl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.