ethyl 2-oxo-2H-chromene-3-carboxylate
TL;DR: ethyl 2-oxo-2H-chromene-3-carboxylate (CAS 1846-76-0) 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 2-oxochromene-3-carboxylate
Also Known As: Ethyl coumarin-3-carboxylate, Ethyl 3-coumarincarboxylate, 3-Ethoxycarbonylcoumarin, 3-Carbethoxycoumarin, Ethyl 2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 1846-76-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2OC1=O |
| InChIKey | XKHPEMKBJGUYCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 2-oxo-2H-chromene-3-carboxylate (CAS 1846-76-0), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: ethyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of ethyl 2-oxo-2H-chromene-3-carboxylate
Property Insights of ethyl 2-oxo-2H-chromene-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-oxo-2H-chromene-3-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, ethyl 2-oxo-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-oxo-2H-chromene-3-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 2-oxo-2H-chromene-3-carboxylate?
The CAS number of ethyl 2-oxo-2H-chromene-3-carboxylate is 1846-76-0.
What is the molecular formula of ethyl 2-oxo-2H-chromene-3-carboxylate?
The molecular formula of ethyl 2-oxo-2H-chromene-3-carboxylate is C12H10O4.
What is the molecular weight of ethyl 2-oxo-2H-chromene-3-carboxylate?
The molecular weight of ethyl 2-oxo-2H-chromene-3-carboxylate is 218.06 g/mol.
Where can I buy ethyl 2-oxo-2H-chromene-3-carboxylate?
You can request a quote for ethyl 2-oxo-2H-chromene-3-carboxylate 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-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.