Divaricatol
TL;DR: Divaricatol (CAS 331433-08-0) is a chemical compound with molecular formula C17H18O7 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate
Also Known As: Divaricatol, J1.430.705B, ((3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-3,4-dihydropyrano(3,2-g)chromen-3-yl) acetate, (3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-2H,3H,4H,6H-pyrano[3,2-g]chromen-3-yl acetate, (7S)-2-(Hydroxymethyl)-5-hydroxy-7alpha-acetoxy-8,8-dimethyl-7,8-dihydro-4H,6H-benzo[1,2-b:5,4-b ]dipyran-4-one
| Molecular Formula | C17H18O7 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 1.6361 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.10526 |
| Heavy Atoms | 24 |
| Complexity | 878.6185 |
Chemical Identifiers
| CAS Number | 331433-08-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)CO)OC1(C)C |
Product Overview
Divaricatol (CAS 331433-08-0), with molecular formula C17H18O7 and molecular weight 334.11 g/mol. IUPAC: [(3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate.
Chemical Property Profile of Divaricatol
Property Insights of Divaricatol
The XLogP value of 1.6361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Divaricatol. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Divaricatol. Following Lipinski's Rule of Five, Divaricatol has 2 hydrogen bond donor(s) and 7 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 Divaricatol?
The CAS number of Divaricatol is 331433-08-0.
What is the molecular formula of Divaricatol?
The molecular formula of Divaricatol is C17H18O7.
What is the molecular weight of Divaricatol?
The molecular weight of Divaricatol is 334.11 g/mol.
Where can I buy Divaricatol?
You can request a quote for Divaricatol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Divaricatol?
Yes, KEHONG BIO provides custom synthesis services for Divaricatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.