TL;DR: Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate (CAS 15287-53-3) is a chemical compound with molecular formula C7H5Br3N2O2 and molecular weight 385.79013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate
Also Known As: Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate, 2,4,5-tribromo-imidazole-1-carboxylic acid allyl ester, Prop-2-en-1-yl 2,4,5-tribromo-1H-imidazole-1-carboxylate, 1H-Imidazole-1-carboxylicacid, 2,4,5-tribromo-, 2-propen-1-yl ester
| Molecular Formula | C7H5Br3N2O2 |
| Molecular Weight | 385.79013 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.79013 Da |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
| SMILES | C=CCOC(=O)N1C(=C(N=C1Br)Br)Br |
| InChIKey | SIOOWLKDHIFELH-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate is 15287-53-3.
The molecular formula of Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate is C7H5Br3N2O2.
The molecular weight of Prop-2-enyl 2,4,5-tribromoimidazole-1-carboxylate is 385.79013 g/mol.
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