Dioclein
TL;DR: Dioclein (CAS 161748-44-3) is a chemical compound with molecular formula C17H16O7 and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one
Also Known As: Dioclein, 5,2',5'-Trihydroxy-6,7-dimethoxyflavanone, 2',5,5'-trihydroxy-6,7-dimethoxyflavone, (2S)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one, (2S)-2 ,5,5 -Trihydroxy-6,7-dimethoxyflavanone
| Molecular Formula | C17H16O7 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0896 |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 161748-44-3 |
|---|---|
| SMILES | COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=C(C=CC(=C3)O)O)O)OC |
| InChIKey | LJTSNTOXRSAZNS-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioclein (CAS 161748-44-3), with molecular formula C17H16O7 and molecular weight 332.09 g/mol. IUPAC: (2S)-2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Dioclein
Property Insights of Dioclein
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dioclein. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioclein. Following Lipinski's Rule of Five, Dioclein has 3 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 Dioclein?
The CAS number of Dioclein is 161748-44-3.
What is the molecular formula of Dioclein?
The molecular formula of Dioclein is C17H16O7.
What is the molecular weight of Dioclein?
The molecular weight of Dioclein is 332.09 g/mol.
Where can I buy Dioclein?
You can request a quote for Dioclein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioclein?
Yes, KEHONG BIO provides custom synthesis services for Dioclein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.