Methyl furan-3-carboxylate
TL;DR: Methyl furan-3-carboxylate (CAS 13129-23-2) 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-3-carboxylate
Also Known As: methyl furan-3-carboxylate, Methyl 3-furoate, Methyl 3-furancarboxylate, Tolualdehydes, 3-(Methoxycarbonyl)furan
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.3 |
| 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 |
Chemical Identifiers
| CAS Number | 13129-23-2 |
|---|---|
| SMILES | COC(=O)C1=COC=C1 |
| InChIKey | ZKHQSQYLKSSYIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl furan-3-carboxylate (CAS 13129-23-2), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: methyl furan-3-carboxylate.
Chemical Property Profile of Methyl furan-3-carboxylate
Property Insights of Methyl furan-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl furan-3-carboxylate. With a topological polar surface area (TPSA) of 39.4 Ų, Methyl furan-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl furan-3-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 Methyl furan-3-carboxylate?
The CAS number of Methyl furan-3-carboxylate is 13129-23-2.
What is the molecular formula of Methyl furan-3-carboxylate?
The molecular formula of Methyl furan-3-carboxylate is C6H6O3.
What is the molecular weight of Methyl furan-3-carboxylate?
The molecular weight of Methyl furan-3-carboxylate is 126.03 g/mol.
Where can I buy Methyl furan-3-carboxylate?
You can request a quote for Methyl furan-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl furan-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl furan-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.