TL;DR: 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid (CAS 52962-95-5) is a chemical compound with molecular formula C28H24N2O6 and molecular weight 484.16342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoic acid
Also Known As: Redoxal, Mini-antibody(scFv), 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid, N,N'-BIS(o-CARBOXYPHENYL)-o-DIANISIDINE, NCI60_041614
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H24N2O6 |
| Molecular Weight | 484.16342 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.16342 Da |
| Heavy Atoms | 36 |
| Complexity | 675.0 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=CC=CC=C3C(=O)O)OC)NC4=CC=CC=C4C(=O)O |
| InChIKey | IQZIRNIZQHVBMB-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid. Following Lipinski's Rule of Five, 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid is 52962-95-5.
The molecular formula of 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid is C28H24N2O6.
The molecular weight of 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid is 484.16342 g/mol.
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