1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
TL;DR: 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- (CAS 70780-21-1) is a chemical compound with molecular formula C19H16O6 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
Also Known As: 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-, 2-(3,4-Dimethoxyphenacyl)-2-hydroxy-1,3-indandione, 2-((3,4-Dimethoxybenzoyl)methyl)-2-hydroxy-1,3-dioxoindane, 2-[2-(3,4-DIMETHOXYPHENYL)-2-OXOETHYL]-2-HYDROXY-1H-INDENE-1,3(2H)-DIONE, 2-[2-2-oxoethyl]-2-hydroxy-1h-indene-1,3 -dione
| Molecular Formula | C19H16O6 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0947 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 70780-21-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC2(C(=O)C3=CC=CC=C3C2=O)O)OC |
| InChIKey | JHBFGEOIOJLSIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- (CAS 70780-21-1), with molecular formula C19H16O6 and molecular weight 340.09 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
Property Insights of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-. Following Lipinski's Rule of Five, 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- 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 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-?
The CAS number of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- is 70780-21-1.
What is the molecular formula of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-?
The molecular formula of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- is C19H16O6.
What is the molecular weight of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-?
The molecular weight of 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- is 340.09 g/mol.
Where can I buy 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-?
You can request a quote for 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.