2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid
TL;DR: 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid (CAS 62956-63-2) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
Also Known As: 5,6-Dimethoxy-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid, 5,6-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid, 4-10-00-03913 (Beilstein Handbook Reference), 5,6-dimethoxy-3-oxo-indan-1-carboxylic acid, 1H-Indene-1-carboxylic acid, 2,3-dihydro-5,6-dimethoxy-3-oxo-
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.4584 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 491.91452 |
Chemical Identifiers
| CAS Number | 62956-63-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=O)CC(C2=C1)C(=O)O)OC |
Product Overview
2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid (CAS 62956-63-2), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 5,6-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid.
Chemical Property Profile of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid
Property Insights of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid
The XLogP value of 1.4584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid. Following Lipinski's Rule of Five, 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid?
The CAS number of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid is 62956-63-2.
What is the molecular formula of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid?
The molecular formula of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid is C12H12O5.
What is the molecular weight of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid?
The molecular weight of 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid is 236.07 g/mol.
Where can I buy 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid?
You can request a quote for 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-5,6-dimethoxy-3-oxo-1H-indene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.