Ethyl 2-oxo-1-indanecarboxylate
TL;DR: Ethyl 2-oxo-1-indanecarboxylate (CAS 14397-64-9) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1,3-dihydroindene-1-carboxylate
Also Known As: Ethyl 2-oxo-1-indanecarboxylate, 1-Ethoxycarbonyl-2-indanone, 1Ethoxycarbonyl-2-Indanone, ethyl 2-oxo-1,3-dihydroindene-1-carboxylate, 2-Oxo-1-indanecarboxylic acid ethyl ester
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 14397-64-9 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)CC2=CC=CC=C12 |
| InChIKey | JPHAXHCYCMPVSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxo-1-indanecarboxylate (CAS 14397-64-9), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: ethyl 2-oxo-1,3-dihydroindene-1-carboxylate.
Chemical Property Profile of Ethyl 2-oxo-1-indanecarboxylate
Property Insights of Ethyl 2-oxo-1-indanecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-1-indanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-oxo-1-indanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxo-1-indanecarboxylate has 0 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 Ethyl 2-oxo-1-indanecarboxylate?
The CAS number of Ethyl 2-oxo-1-indanecarboxylate is 14397-64-9.
What is the molecular formula of Ethyl 2-oxo-1-indanecarboxylate?
The molecular formula of Ethyl 2-oxo-1-indanecarboxylate is C12H12O3.
What is the molecular weight of Ethyl 2-oxo-1-indanecarboxylate?
The molecular weight of Ethyl 2-oxo-1-indanecarboxylate is 204.08 g/mol.
Where can I buy Ethyl 2-oxo-1-indanecarboxylate?
You can request a quote for Ethyl 2-oxo-1-indanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxo-1-indanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-1-indanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.