2-Desmethylquassin
TL;DR: 2-Desmethylquassin (CAS 26121-57-3) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6S,7S,9R,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
Also Known As: 2-Desmethylquassin, Norquassin, Nigakilactone I, picrasin B, delta2-pycrasin B
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 26121-57-3 |
|---|---|
| SMILES | C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)O |
| InChIKey | IBDCZBYIEPTNQQ-CEAVDVEISA-N |
Product Overview
2-Desmethylquassin (CAS 26121-57-3), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: (1S,2S,6S,7S,9R,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione.
Chemical Property Profile of 2-Desmethylquassin
Property Insights of 2-Desmethylquassin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Desmethylquassin. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Desmethylquassin. Following Lipinski's Rule of Five, 2-Desmethylquassin has 1 hydrogen bond donor(s) and 6 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 2-Desmethylquassin?
The CAS number of 2-Desmethylquassin is 26121-57-3.
What is the molecular formula of 2-Desmethylquassin?
The molecular formula of 2-Desmethylquassin is C21H26O6.
What is the molecular weight of 2-Desmethylquassin?
The molecular weight of 2-Desmethylquassin is 374.17 g/mol.
Where can I buy 2-Desmethylquassin?
You can request a quote for 2-Desmethylquassin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Desmethylquassin?
Yes, KEHONG BIO provides custom synthesis services for 2-Desmethylquassin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.