(7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid
TL;DR: (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid (CAS 111477-47-5) is a chemical compound with molecular formula C12H12ClFO4 and molecular weight 274.0408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R,4R)-7-chloro-6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl]ethaneperoxoic acid
Also Known As: (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid, [(2R,4R)-7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]ethaneperoxoic acid, 2-[(2R,4R)-7-chloro-6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl]ethaneperoxoic acid, 7-Chloro-6-fluoro-3,4-dihydro-4-hydroxy-2-methyl-2H-1-benzopyran-4-acetic acid (2R-cis)-
Technical Specifications
| Molecular Formula | C12H12ClFO4 |
| Molecular Weight | 274.0408 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0408 Da |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
| SMILES | C[C@@H]1C[C@@H](C2=CC(=C(C=C2O1)Cl)F)CC(=O)OO |
| InChIKey | LGSGSCBGZSNDNA-RNFRBKRXSA-N |
Chemical Property Profile of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid
Property Insights of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid has 1 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-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid?
The CAS number of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid is 111477-47-5.
What is the molecular formula of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid?
The molecular formula of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid is C12H12ClFO4.
What is the molecular weight of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid?
The molecular weight of (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid is 274.0408 g/mol.
Where can I buy (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid?
You can request a quote for (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid?
Yes, CoreyChem provides custom synthesis services for (7-Chloro-6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-yl)ethaneperoxoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.