Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate
TL;DR: Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate (CAS 293765-91-0) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate
Also Known As: ChemDiv2_002309, methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate, methyl 4-(benzofuran-2-yl)-4-oxobutanoate, methyl 4-benzo[d]furan-2-yl-4-oxobutanoate, A1917/0080572
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 293765-91-0 |
|---|---|
| SMILES | COC(=O)CCC(=O)C1=CC2=CC=CC=C2O1 |
| InChIKey | BWMLPJNDFRIQHE-UHFFFAOYSA-N |
Product Overview
Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate (CAS 293765-91-0), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate
Property Insights of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 56.5 Ų, Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate 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 4-(1-benzofuran-2-yl)-4-oxobutanoate?
The CAS number of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate is 293765-91-0.
What is the molecular formula of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate?
The molecular formula of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate is C13H12O4.
What is the molecular weight of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate?
The molecular weight of Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate is 232.07 g/mol.
Where can I buy Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate?
You can request a quote for Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.