Ethyl 3-methyl-1-benzofuran-2-carboxylate
TL;DR: Ethyl 3-methyl-1-benzofuran-2-carboxylate (CAS 22367-82-4) 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 3-methyl-1-benzofuran-2-carboxylate
Also Known As: ethyl 3-methyl-1-benzofuran-2-carboxylate, Ethyl 3-methylbenzofuran-2-carboxylate, 3-Methylbenzofuran-2-carboxylic acid ethyl ester, ethyl 3-methylcoumarilate, ChemDiv3_015600
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.91792 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 496.5366 |
Chemical Identifiers
| CAS Number | 22367-82-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)C |
Product Overview
Ethyl 3-methyl-1-benzofuran-2-carboxylate (CAS 22367-82-4), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: ethyl 3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-1-benzofuran-2-carboxylate
Property Insights of Ethyl 3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 2.91792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methyl-1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 39.44 Ų, Ethyl 3-methyl-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-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 3-methyl-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 3-methyl-1-benzofuran-2-carboxylate is 22367-82-4.
What is the molecular formula of Ethyl 3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-methyl-1-benzofuran-2-carboxylate is C12H12O3.
What is the molecular weight of Ethyl 3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-methyl-1-benzofuran-2-carboxylate is 204.08 g/mol.
Where can I buy Ethyl 3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-methyl-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 3-methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.