2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one
TL;DR: 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one (CAS 115613-80-4) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-7-propoxy-3H-chromen-4-one
Also Known As: 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one, 2,2-Dimethyl-7-propoxychroman-4-one, 2,2-dimethyl-7-propoxy-3,4-dihydro-2H-1-benzopyran-4-one, 2,2-dimethyl-7-propoxy-3H-chromen-4-one, 2,2-dimethyl-7-propoxy-chroman-4-one
Technical Specifications
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.1256 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.1256 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CCCOC1=CC2=C(C=C1)C(=O)CC(O2)(C)C |
| InChIKey | VGHAPCWYAJZODC-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one
Property Insights of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-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 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one?
The CAS number of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one is 115613-80-4.
What is the molecular formula of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one?
The molecular formula of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one is C14H18O3.
What is the molecular weight of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one?
The molecular weight of 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one is 234.1256 g/mol.
Where can I buy 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one?
You can request a quote for 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one?
Yes, CoreyChem provides custom synthesis services for 2,2-dimethyl-7-propoxy-2,3-dihydro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.