Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
TL;DR: Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate (CAS 3781-69-9) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
Also Known As: ETHYL 4-HYDROXY-3-METHYLBENZOFURAN-2-CARBOXYLATE, ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate, 2-carbethoxy-3-methyl-4-hydroxybenzofuran, ethyl 3-methyl-4-hydroxybenzofuran-2-carboxylate, ethyl-4-hydroxy-3-methylbenzofuran-2-carboxylate
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 3781-69-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C=CC=C2O1)O)C |
| InChIKey | NBTXBAOGAXOKEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate (CAS 3781-69-9), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
Property Insights of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 59.7 Ų, Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate has 1 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 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is 3781-69-9.
What is the molecular formula of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is C12H12O4.
What is the molecular weight of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate is 220.07 g/mol.
Where can I buy Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 4-hydroxy-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 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.