TL;DR: Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1) (CAS 109524-02-9) is a chemical compound with molecular formula C21H18BrNO5 and molecular weight 443.03683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine;oxalic acid
Also Known As: 4-(3-Pyridylmethoxymethyl)-2'-bromobiphenyl oxalate, Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1), 3-(((2'-Bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)pyridine ethanedioate (1:1), 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine; oxalic acid, Oxalic acid--3-{[(2'-bromo[1,1'-biphenyl]-4-yl)methoxy]methyl}pyridine (1/1)
| Molecular Formula | C21H18BrNO5 |
| Molecular Weight | 443.03683 g/mol |
| XLogP | 4.3835 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.03683 Da |
| Heavy Atoms | 28 |
| Complexity | 388.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)COCC3=CN=CC=C3)Br.C(=O)(C(=O)O)O |
| InChIKey | VBFPASPEDOSBBB-UHFFFAOYSA-N |
The XLogP value of 4.3835 indicates that Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1) is 109524-02-9.
The molecular formula of Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1) is C21H18BrNO5.
The molecular weight of Pyridine, 3-(((2'-bromo(1,1'-biphenyl)-4-yl)methoxy)methyl)-, ethanedioate (1:1) is 443.03683 g/mol.
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