3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one
TL;DR: 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one (CAS 158584-21-5) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxybenzoyl)chromen-4-one
Also Known As: 3-(4-Methoxybenzoyl)chromone, 3-(4-methoxybenzoyl)chromen-4-one, 3-(4-methoxybenzoyl)-4H-chromen-4-one, 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one, J1.345.470A
Technical Specifications
| Molecular Formula | C17H12O4 |
| Molecular Weight | 280.07355 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 Da |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2=COC3=CC=CC=C3C2=O |
| InChIKey | GBNXJFPBHDQULS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one
Property Insights of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one
The XLogP value of 3.1 indicates that 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one 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 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one?
The CAS number of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one is 158584-21-5.
What is the molecular formula of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one?
The molecular formula of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one is C17H12O4.
What is the molecular weight of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one?
The molecular weight of 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one is 280.07355 g/mol.
Where can I buy 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one?
You can request a quote for 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methoxybenzoyl)-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.