7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one
TL;DR: 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one (CAS 137460-60-7) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
Also Known As: 2-Methyl-3-phenoxy-7-acetoxychromone, IFLab1_003356, 4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-methyl-3-phenoxy-, (2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate, 2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl acetate
Technical Specifications
| Molecular Formula | C18H14O5 |
| Molecular Weight | 310.08414 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.08414 Da |
| Heavy Atoms | 23 |
| Complexity | 504.0 |
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)OC3=CC=CC=C3 |
| InChIKey | GSHNBUJWHGCPFS-UHFFFAOYSA-N |
Chemical Property Profile of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one
Property Insights of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one
The XLogP value of 3.3 indicates that 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one. Following Lipinski's Rule of Five, 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one?
The CAS number of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one is 137460-60-7.
What is the molecular formula of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one?
The molecular formula of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one is C18H14O5.
What is the molecular weight of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one?
The molecular weight of 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one is 310.08414 g/mol.
Where can I buy 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one?
You can request a quote for 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 7-(Acetyloxy)-2-methyl-3-phenoxy-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.