Methyl 2-oxo-2H-1-benzopyran-3-carboxylate
TL;DR: Methyl 2-oxo-2H-1-benzopyran-3-carboxylate (CAS 21259-42-7) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-oxochromene-3-carboxylate
Also Known As: Methyl coumarin-3-carboxylate, Methyl 2-oxo-2H-chromene-3-carboxylate, methyl 2-oxochromene-3-carboxylate, IFLab1_000621, Methyl 2-oxo-2H-1-benzopyran-3-carboxylate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8O4 |
| Molecular Weight | 204.04225 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.04225 Da |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| SMILES | COC(=O)C1=CC2=CC=CC=C2OC1=O |
| InChIKey | JZAJARGAUOHFCU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate
Property Insights of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-oxo-2H-1-benzopyran-3-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-oxo-2H-1-benzopyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-oxo-2H-1-benzopyran-3-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 Methyl 2-oxo-2H-1-benzopyran-3-carboxylate?
The CAS number of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate is 21259-42-7.
What is the molecular formula of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate?
The molecular formula of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate is C11H8O4.
What is the molecular weight of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate?
The molecular weight of Methyl 2-oxo-2H-1-benzopyran-3-carboxylate is 204.04225 g/mol.
Where can I buy Methyl 2-oxo-2H-1-benzopyran-3-carboxylate?
You can request a quote for Methyl 2-oxo-2H-1-benzopyran-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-oxo-2H-1-benzopyran-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-oxo-2H-1-benzopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.