TL;DR: 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- (CAS 26177-81-1) is a chemical compound with molecular formula C28H18O10 and molecular weight 514.09 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[4-(3,4-dicarboxyphenoxy)phenyl]phenoxy]phthalic acid
Also Known As: BAS 00372884, 4,4'-((1,1'-Biphenyl)-4,4'-diylbis(oxy))bisphthalic acid, 4,4'-(4,4'-Biphenylenedioxy)diphthalic acid, BIM-0030570.P001, 4-[4-[4-(3,4-dicarboxyphenoxy)phenyl]phenoxy]phthalic acid
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H18O10 |
| Molecular Weight | 514.09 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.09 Da |
| Heavy Atoms | 38 |
| Complexity | 788.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O)OC4=CC(=C(C=C4)C(=O)O)C(=O)O |
| InChIKey | QMTREXUMAIMKKJ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- is 26177-81-1.
The molecular formula of 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- is C28H18O10.
The molecular weight of 1,2-Benzenedicarboxylic acid, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis- is 514.09 g/mol.
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