Methyl 3-hydroxybenzofuran-2-carboxylate
TL;DR: Methyl 3-hydroxybenzofuran-2-carboxylate (CAS 5117-55-5) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-1-benzofuran-2-carboxylate
Also Known As: methyl 3-hydroxybenzofuran-2-carboxylate, Methyl 3-hydroxy-1-benzofuran-2-carboxylate, J2.294.486J, (2E)-2-(hydroxy-methoxy-methylidene)benzofuran-3-one, 3-hydroxy-2-benzofurancarboxylic acid methyl ester
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5117-55-5 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2O1)O |
| InChIKey | HOWXDNGXHMYIIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxybenzofuran-2-carboxylate (CAS 5117-55-5), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: methyl 3-hydroxy-1-benzofuran-2-carboxylate.
Chemical Property Profile of Methyl 3-hydroxybenzofuran-2-carboxylate
Property Insights of Methyl 3-hydroxybenzofuran-2-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxybenzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 59.7 Ų, Methyl 3-hydroxybenzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxybenzofuran-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 Methyl 3-hydroxybenzofuran-2-carboxylate?
The CAS number of Methyl 3-hydroxybenzofuran-2-carboxylate is 5117-55-5.
What is the molecular formula of Methyl 3-hydroxybenzofuran-2-carboxylate?
The molecular formula of Methyl 3-hydroxybenzofuran-2-carboxylate is C10H8O4.
What is the molecular weight of Methyl 3-hydroxybenzofuran-2-carboxylate?
The molecular weight of Methyl 3-hydroxybenzofuran-2-carboxylate is 192.04 g/mol.
Where can I buy Methyl 3-hydroxybenzofuran-2-carboxylate?
You can request a quote for Methyl 3-hydroxybenzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxybenzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxybenzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.