2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
TL;DR: 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid (CAS 40462-12-2) is a chemical compound with molecular formula C17H10O4 and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-benzylidene-1,3-dioxoindene-5-carboxylic acid
Also Known As: (2E)-2-benzylidene-1,3-dioxoindene-5-carboxylic acid, (2Z)-2-BENZYLIDENE-1,3-DIOXOINDANE-5-CARBOXYLIC ACID, 1,3-Dioxo-2-[1-phenyl-meth-(E)-ylidene]-indan-5-carboxylic acid, 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid, (E)-2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
| Molecular Formula | C17H10O4 |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 2.8474 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.05792 |
| Heavy Atoms | 21 |
| Complexity | 800.79474 |
Chemical Identifiers
| CAS Number | 40462-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid (CAS 40462-12-2), with molecular formula C17H10O4 and molecular weight 278.06 g/mol. IUPAC: (2E)-2-benzylidene-1,3-dioxoindene-5-carboxylic acid.
Chemical Property Profile of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
Property Insights of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
The XLogP value of 2.8474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid. Following Lipinski's Rule of Five, 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
The CAS number of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid is 40462-12-2.
What is the molecular formula of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
The molecular formula of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid is C17H10O4.
What is the molecular weight of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
The molecular weight of 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid is 278.06 g/mol.
Where can I buy 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
You can request a quote for 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-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-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylidene-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.