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Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
TL;DR: Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate (CAS 7596-76-1) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
Also Known As: ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate, Ethyl 1-methylnaphtho[2,1-b]furan-2-carboxylate, ethyl 1-methylbenzo[e]benzofuran-2-carboxylate
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 7596-76-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)C=CC3=CC=CC=C32)C |
| InChIKey | FUAMYQDEYPSOOS-UHFFFAOYSA-N |
Product Overview
Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate (CAS 7596-76-1), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
Property Insights of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate
The XLogP value of 4.5 indicates that Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate 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 1-methylbenzo[e][1]benzofuran-2-carboxylate?
The CAS number of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate is 7596-76-1.
What is the molecular formula of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate?
The molecular formula of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate is C16H14O3.
What is the molecular weight of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate?
The molecular weight of Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate is 254.09 g/mol.
Where can I buy Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate?
You can request a quote for Ethyl 1-methylbenzo[e][1]benzofuran-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-methylbenzo[e][1]benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methylbenzo[e][1]benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.