TL;DR: methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate (CAS 1212248-69-5) is a chemical compound with molecular formula C24H19BrO5 and molecular weight 466.0416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-oxo-1,2-dihydrobenzo[f]chromene-2-carboxylate
Also Known As: methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate, methyl 1-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-oxo-1,2-dihydrobenzo[f]chromene-2-carboxylate, methyl 1-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate
| Molecular Formula | C24H19BrO5 |
| Molecular Weight | 466.0416 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.0416 Da |
| Heavy Atoms | 30 |
| Complexity | 671.0 |
| SMILES | CC(C1C(C(=O)OC2=C1C3=CC=CC=C3C=C2)C(=O)OC)C(=O)C4=CC=C(C=C4)Br |
| InChIKey | XEORBFKZSBAWIA-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate. Following Lipinski's Rule of Five, methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate is 1212248-69-5.
The molecular formula of methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate is C24H19BrO5.
The molecular weight of methyl 1-(1-(4-bromophenyl)-1-oxopropan-2-yl)-3-oxo-2,3-dihydro-1H-benzo[f]chromene-2-carboxylate is 466.0416 g/mol.
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