Methyl 2-furoate
TL;DR: Methyl 2-furoate (CAS 611-13-2) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl furan-2-carboxylate
Also Known As: Methyl 2-furoate, Methyl furan-2-carboxylate, Methyl pyromucate, METHYL FUROATE, Methyl 2-furancarboxylate
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
| Boiling Point | 181.00 to 182.00 °C. @ 760.00 mm Hg |
| Density | 1.176-1.181 |
| Solubility | insoluble to slightly soluble in water; soluble in oils |
| Refractive Index | 1.485-1.490 |
Chemical Identifiers
| CAS Number | 611-13-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CO1 |
| InChIKey | HDJLSECJEQSPKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-furoate (CAS 611-13-2), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: methyl furan-2-carboxylate.
Chemical Property Profile of Methyl 2-furoate
Property Insights of Methyl 2-furoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, Methyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-furoate 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 Methyl 2-furoate?
The CAS number of Methyl 2-furoate is 611-13-2.
What is the molecular formula of Methyl 2-furoate?
The molecular formula of Methyl 2-furoate is C6H6O3.
What is the molecular weight of Methyl 2-furoate?
The molecular weight of Methyl 2-furoate is 126.03 g/mol.
Where can I buy Methyl 2-furoate?
You can request a quote for Methyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.