Methyl 3-(furan-2-yl)-3-oxopropanoate
TL;DR: Methyl 3-(furan-2-yl)-3-oxopropanoate (CAS 66640-67-3) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(furan-2-yl)-3-oxopropanoate
Also Known As: methyl 2-furoylacetate, methyl 3-(furan-2-yl)-3-oxopropanoate, Methyl2-Furoylacetate, methyl 3-(2-furyl)-3-oxopropanoate, methyl 3-(2-furyl)-3-oxo-propanoate
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 66640-67-3 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=CO1 |
| InChIKey | YGTDKZHHEPVYGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(furan-2-yl)-3-oxopropanoate (CAS 66640-67-3), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: methyl 3-(furan-2-yl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(furan-2-yl)-3-oxopropanoate
Property Insights of Methyl 3-(furan-2-yl)-3-oxopropanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(furan-2-yl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 56.5 Ų, Methyl 3-(furan-2-yl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(furan-2-yl)-3-oxopropanoate has 0 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-(furan-2-yl)-3-oxopropanoate?
The CAS number of Methyl 3-(furan-2-yl)-3-oxopropanoate is 66640-67-3.
What is the molecular formula of Methyl 3-(furan-2-yl)-3-oxopropanoate?
The molecular formula of Methyl 3-(furan-2-yl)-3-oxopropanoate is C8H8O4.
What is the molecular weight of Methyl 3-(furan-2-yl)-3-oxopropanoate?
The molecular weight of Methyl 3-(furan-2-yl)-3-oxopropanoate is 168.04 g/mol.
Where can I buy Methyl 3-(furan-2-yl)-3-oxopropanoate?
You can request a quote for Methyl 3-(furan-2-yl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(furan-2-yl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(furan-2-yl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.