TL;DR: 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid (CAS 108146-85-6) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-carboxy-6-methylphenyl)-3-methylbenzoic acid
Also Known As: 6,6'-dimethylbiphenyl-2,2'-dicarboxylic acid, 2,2 -Bi(3-methylbenzoic acid), 2-(2-carboxy-6-methylphenyl)-3-methylbenzoic acid, J1.193.264I, [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-dimethyl-
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14O4 |
| Molecular Weight | 270.0892 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0892 Da |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
| SMILES | CC1=C(C(=CC=C1)C(=O)O)C2=C(C=CC=C2C(=O)O)C |
| InChIKey | HCUHAHONSFXZMF-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid. Following Lipinski's Rule of Five, 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid is 108146-85-6.
The molecular formula of 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid is C16H14O4.
The molecular weight of 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic acid is 270.0892 g/mol.
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