Trisekvens
TL;DR: Trisekvens (CAS 68025-31-0) is a chemical compound with molecular formula C58H76O8 and molecular weight 900.55 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-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: Trisekvens, Trisequens, Kliogest, Kliojest, Trisequens forte
| Molecular Formula | C58H76O8 |
|---|---|
| Molecular Weight | 900.55 g/mol |
| LogP | 10.2525 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 900.554 |
| Heavy Atoms | 66 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 68025-31-0 |
|---|---|
| SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | MPSOHXLZDRQABN-KOAPPJMKSA-N |
Product Overview
Trisekvens (CAS 68025-31-0), with molecular formula C58H76O8 and molecular weight 900.55 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.
Chemical Property Profile of Trisekvens
Property Insights of Trisekvens
The XLogP value of 10.2525 indicates that Trisekvens is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Trisekvens may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trisekvens has 5 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 Trisekvens?
The CAS number of Trisekvens is 68025-31-0.
What is the molecular formula of Trisekvens?
The molecular formula of Trisekvens is C58H76O8.
What is the molecular weight of Trisekvens?
The molecular weight of Trisekvens is 900.55 g/mol.
Where can I buy Trisekvens?
You can request a quote for Trisekvens directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisekvens?
Yes, KEHONG BIO provides custom synthesis services for Trisekvens and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.