TL;DR: Acetic acid, bromo-, 2-butene-1,4-diyl ester (CAS 1071565-84-8) is a chemical compound with molecular formula C8H10Br2O4 and molecular weight 327.8946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate
Also Known As: Slimacide V 10, BBAB, Caswell No. 088A, Fennosan-F-50, But-2-ene-1,4-diyl bis(2-bromoacetate)
| Molecular Formula | C8H10Br2O4 |
| Molecular Weight | 327.8946 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.8946 Da |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| SMILES | C(/C=C/COC(=O)CBr)OC(=O)CBr |
| InChIKey | SIHKVAXULDBIIY-OWOJBTEDSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, bromo-, 2-butene-1,4-diyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, bromo-, 2-butene-1,4-diyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, bromo-, 2-butene-1,4-diyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, bromo-, 2-butene-1,4-diyl ester is 1071565-84-8.
The molecular formula of Acetic acid, bromo-, 2-butene-1,4-diyl ester is C8H10Br2O4.
The molecular weight of Acetic acid, bromo-, 2-butene-1,4-diyl ester is 327.8946 g/mol.
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