Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate
TL;DR: Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate (CAS 5896-38-8) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-methylfuran-2-yl)-3-oxopropanoate
Also Known As: methyl 3-(3-methylfuran-2-yl)-3-oxopropanoate, 3- -3-oxopropionicacidmethylester, Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate, Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate #, 2-Furanpropionic acid, 3-methyl-.beta.-oxo-, methyl ester
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5896-38-8 |
|---|---|
| SMILES | CC1=C(OC=C1)C(=O)CC(=O)OC |
| InChIKey | LEKRUJWIMHVVTG-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate (CAS 5896-38-8), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: methyl 3-(3-methylfuran-2-yl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate
Property Insights of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 56.5 Ų, Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-methyl-2-furyl)-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-(3-methyl-2-furyl)-3-oxopropanoate?
The CAS number of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate is 5896-38-8.
What is the molecular formula of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate is C9H10O4.
What is the molecular weight of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate is 182.06 g/mol.
Where can I buy Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(3-methyl-2-furyl)-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-(3-methyl-2-furyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-methyl-2-furyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.