7-ethoxy-3,4-dimethyl-2H-chromen-2-one
TL;DR: 7-ethoxy-3,4-dimethyl-2H-chromen-2-one (CAS 111244-98-5) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-ethoxy-3,4-dimethylchromen-2-one
Also Known As: 7-ethoxy-3,4-dimethyl-2H-chromen-2-one, 7-ethoxy-3,4-dimethylchromen-2-one, 7-Ethoxy-3,4-dimethyl-chromen-2-one, J2.379.282F, 7-Ethoxy-3,4-dimethyl-2H-1-benzopyran-2-one
Technical Specifications
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.0943 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 Da |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
| SMILES | CCOC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C |
| InChIKey | DHCNDDIKPFLNAO-UHFFFAOYSA-N |
Chemical Property Profile of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one
Property Insights of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-ethoxy-3,4-dimethyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 7-ethoxy-3,4-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-ethoxy-3,4-dimethyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 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-ethoxy-3,4-dimethyl-2H-chromen-2-one?
The CAS number of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one is 111244-98-5.
What is the molecular formula of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one?
The molecular formula of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one is C13H14O3.
What is the molecular weight of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one?
The molecular weight of 7-ethoxy-3,4-dimethyl-2H-chromen-2-one is 218.0943 g/mol.
Where can I buy 7-ethoxy-3,4-dimethyl-2H-chromen-2-one?
You can request a quote for 7-ethoxy-3,4-dimethyl-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-ethoxy-3,4-dimethyl-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 7-ethoxy-3,4-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.