4-methyl-2-oxo-2H-chromen-7-yl chloroacetate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate (CAS 105738-24-7) is a chemical compound with molecular formula C12H9ClO4 and molecular weight 252.01894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-2-oxochromen-7-yl) 2-chloroacetate
Also Known As: 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate, 4-methyl-2-oxo-2H-chromen-7-yl 2-chloroacetate, Pilocarpine hydrochlororide, 7-Chloroacetoxy-4-methylcoumarin, (4-methyl-2-oxochromen-7-yl) 2-chloroacetate
Technical Specifications
| Molecular Formula | C12H9ClO4 |
| Molecular Weight | 252.01894 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01894 Da |
| Heavy Atoms | 17 |
| Complexity | 364.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCl |
| InChIKey | DNVAMQZOGHDQNS-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate 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 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate is 105738-24-7.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate is C12H9ClO4.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate is 252.01894 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate?
Yes, CoreyChem provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.