Quingestanol Acetate
TL;DR: Quingestanol Acetate (CAS 3000-39-3) is a chemical compound with molecular formula C27H36O3 and molecular weight 408.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: QUINGESTANOL ACETATE, QUINGESTANOL, Quingestanol acetate [USAN], Quingestanol acetate (USAN), W 4540
| Molecular Formula | C27H36O3 |
|---|---|
| Molecular Weight | 408.27 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.26645 |
| Heavy Atoms | 30 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 3000-39-3 |
|---|---|
| SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C |
| InChIKey | FLGJKPPXEKYCBY-AKCFYGDASA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quingestanol Acetate (CAS 3000-39-3), with molecular formula C27H36O3 and molecular weight 408.27 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Quingestanol Acetate
Property Insights of Quingestanol Acetate
The XLogP value of 5.3 indicates that Quingestanol Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Quingestanol Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quingestanol Acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quingestanol Acetate?
The CAS number of Quingestanol Acetate is 3000-39-3.
What is the molecular formula of Quingestanol Acetate?
The molecular formula of Quingestanol Acetate is C27H36O3.
What is the molecular weight of Quingestanol Acetate?
The molecular weight of Quingestanol Acetate is 408.27 g/mol.
Where can I buy Quingestanol Acetate?
You can request a quote for Quingestanol Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quingestanol Acetate?
Yes, KEHONG BIO provides custom synthesis services for Quingestanol Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.