Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate
TL;DR: Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate (CAS 3457-77-0) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dioxoindene-2-carboxylate
Also Known As: ethyl 1,3-dioxoindene-2-carboxylate, Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate, Ethyl 1,3-dioxo-2-indanecarboxylate #, 1,3-indandion-2-carboxylic acid ethyl ester, 1,3-dioxoindan-2-carboxylic acid ethyl ester
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 3457-77-0 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | PVCYZWDBTRWGCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate (CAS 3457-77-0), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: ethyl 1,3-dioxoindene-2-carboxylate.
Chemical Property Profile of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate
Property Insights of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate has 0 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 Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate?
The CAS number of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate is 3457-77-0.
What is the molecular formula of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate?
The molecular formula of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate is C12H10O4.
What is the molecular weight of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate?
The molecular weight of Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate is 218.06 g/mol.
Where can I buy Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate?
You can request a quote for Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.