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ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate structure
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ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate

TL;DR: ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate (CAS 257613-43-7) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate

Also Known As: ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate, ethyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate, L-5079, F0699-0104, ethyl 2-(4-oxobenzofuro[3,2-d]pyrimidin-3(4H)-yl)acetate

CAS Number
257613-43-7
Molecular Formula
C14H12N2O4
Molecular Weight
272.0797 g/mol
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Technical Specifications

Molecular FormulaC14H12N2O4
Molecular Weight272.0797 g/mol
XLogP1.9
Topological Polar Surface Area (TPSA)72.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds4
Exact Mass272.0797 Da
Heavy Atoms20
Complexity437.0
SMILESCCOC(=O)CN1C=NC2=C(C1=O)OC3=CC=CC=C32
InChIKeyXFCDCMOHPWFCFI-UHFFFAOYSA-N

Chemical Property Profile of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate

XLogP
1.9
TPSA (Topological Polar Surface Area)
72.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
20
Complexity
437.0
Exact Mass
272.0797
Monoisotopic Mass
272.0797
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate

The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate. Following Lipinski's Rule of Five, ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate?

The CAS number of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate is 257613-43-7.

What is the molecular formula of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate?

The molecular formula of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate is C14H12N2O4.

What is the molecular weight of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate?

The molecular weight of ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate is 272.0797 g/mol.

Where can I buy ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate?

You can request a quote for ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate?

Yes, CoreyChem provides custom synthesis services for ethyl (4-oxo[1]benzofuro[3,2-{d}]pyrimidin-3(4{H})-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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