Phenacyl 3-methyl-1-benzofuran-2-carboxylate
TL;DR: Phenacyl 3-methyl-1-benzofuran-2-carboxylate (CAS 587839-41-6) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenacyl 3-methyl-1-benzofuran-2-carboxylate
Also Known As: phenacyl 3-methyl-1-benzofuran-2-carboxylate, 2-Benzofurancarboxylicacid,3-methyl-,2-oxo-2-phenylethylester(9CI), 2-Benzofurancarboxylic acid, 3-methyl-, 2-oxo-2-phenylethyl ester (9CI)
Technical Specifications
| Molecular Formula | C18H14O4 |
| Molecular Weight | 294.0892 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.0892 Da |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=CC=C3 |
| InChIKey | ALFFXBLVHMQHLA-UHFFFAOYSA-N |
Chemical Property Profile of Phenacyl 3-methyl-1-benzofuran-2-carboxylate
Property Insights of Phenacyl 3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 4.3 indicates that Phenacyl 3-methyl-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Phenacyl 3-methyl-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenacyl 3-methyl-1-benzofuran-2-carboxylate 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
What is the CAS number of Phenacyl 3-methyl-1-benzofuran-2-carboxylate?
The CAS number of Phenacyl 3-methyl-1-benzofuran-2-carboxylate is 587839-41-6.
What is the molecular formula of Phenacyl 3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of Phenacyl 3-methyl-1-benzofuran-2-carboxylate is C18H14O4.
What is the molecular weight of Phenacyl 3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of Phenacyl 3-methyl-1-benzofuran-2-carboxylate is 294.0892 g/mol.
Where can I buy Phenacyl 3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for Phenacyl 3-methyl-1-benzofuran-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenacyl 3-methyl-1-benzofuran-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Phenacyl 3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.