TL;DR: Benzene, 1,3-bis(bromomethyl)- (CAS 626-15-3) is a chemical compound with molecular formula C8H8Br2 and molecular weight 261.8993 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(bromomethyl)benzene
Also Known As: 1,3-Bis(bromomethyl)benzene, m-Xylylene dibromide, alpha,alpha'-Dibromo-m-xylene, m-Xylylene Bromide, alpha
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H8Br2 |
| Molecular Weight | 261.8993 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.89722 Da |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
| SMILES | C1=CC(=CC(=C1)CBr)CBr |
| InChIKey | OXHOPZLBSSTTBU-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Benzene, 1,3-bis(bromomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,3-bis(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis(bromomethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzene, 1,3-bis(bromomethyl)- is 626-15-3.
The molecular formula of Benzene, 1,3-bis(bromomethyl)- is C8H8Br2.
The molecular weight of Benzene, 1,3-bis(bromomethyl)- is 261.8993 g/mol.
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