[(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu
TL;DR: [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu (CAS 2836-93-3) is a chemical compound with molecular formula C27H35F3O5 and molecular weight 496.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13S,14S,17S)-17-(3-acetyloxy-4,4,4-trifluorobut-2-enoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu
| Molecular Formula | C27H35F3O5 |
|---|---|
| Molecular Weight | 496.24 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.24365 |
| Heavy Atoms | 35 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 2836-93-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)C=C(C(F)(F)F)OC(=O)C)C)C |
| InChIKey | WBOCSECWRUWDNA-MKPDMXAPSA-N |
Product Overview
[(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu (CAS 2836-93-3), with molecular formula C27H35F3O5 and molecular weight 496.24 g/mol. IUPAC: [(3S,8S,9S,10R,13S,14S,17S)-17-(3-acetyloxy-4,4,4-trifluorobut-2-enoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu
Property Insights of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu
The XLogP value of 5.7 indicates that [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu. Following Lipinski's Rule of Five, [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu?
The CAS number of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu is 2836-93-3.
What is the molecular formula of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu?
The molecular formula of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu is C27H35F3O5.
What is the molecular weight of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu?
The molecular weight of [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu is 496.24 g/mol.
Where can I buy [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu?
You can request a quote for [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu?
Yes, KEHONG BIO provides custom synthesis services for [(3S,8S,9S,10R,13S,14S,17S)-17-[(Z)-3-acetyloxy-4,4,4-triflu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.