TL;DR: Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)- (CAS 163124-45-6) is a chemical compound with molecular formula C8H6BrO3PSe and molecular weight 339.84033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-bromo-1-benzoselenophen-2-yl)phosphonic acid
Also Known As: (3-bromo-1-benzoselenophen-2-yl)phosphonic acid, Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)-, Phosphonic acid,(3-bromobenzo[b]selenophene-2-yl), (3-BROMO-BENZO(B)SELENOPHEN-2-YL)-PHOSPHONIC ACID, (9-bromo-7-selenabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)phosphonic Acid
| Molecular Formula | C8H6BrO3PSe |
| Molecular Weight | 339.84033 g/mol |
| XLogP | 1.4623 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.84033 Da |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
| SMILES | C1=CC=C2C(=C1)C(=C([Se]2)P(=O)(O)O)Br |
| InChIKey | XWMTZSFJBYBJSZ-UHFFFAOYSA-N |
The XLogP value of 1.4623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)-. With a topological polar surface area (TPSA) of 57.5 Ų, Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)- has 2 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 Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)- is 163124-45-6.
The molecular formula of Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)- is C8H6BrO3PSe.
The molecular weight of Phosphonic acid, (3-bromobenzo[b]selenophene-2-yl)- is 339.84033 g/mol.
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