4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one
TL;DR: 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one (CAS 156419-57-7) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(chloromethyl)-6,8-dimethylchromen-2-one
Also Known As: 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one, 4-(chloromethyl)-6,8-dimethylchromen-2-one, BB_NC-0989, 4-(chloromethyl)-6,8-dimethyl-chromen-2-one, Y-0905
Technical Specifications
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.04475 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04475 Da |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
| SMILES | CC1=CC(=C2C(=C1)C(=CC(=O)O2)CCl)C |
| InChIKey | MZLCPSTYZJGACT-UHFFFAOYSA-N |
Chemical Property Profile of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one
Property Insights of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one?
The CAS number of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one is 156419-57-7.
What is the molecular formula of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one?
The molecular formula of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one is C12H11ClO2.
What is the molecular weight of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one?
The molecular weight of 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one is 222.04475 g/mol.
Where can I buy 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one?
You can request a quote for 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.