TL;DR: 1,2-Cyclopentanedicarboxylate (CAS 50483-99-3) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclopentane-1,2-dicarboxylic acid
Also Known As: cyclopentane-1,2-dicarboxylic acid, 1,2-Cyclopentanedicarboxylic acid, Maybridge1_002319, 1,2-Cyclopentanedicarboxylate, trans-Cyclopentane-1,2-dicarboxylic acid
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H10O4 |
| Molecular Weight | 158.0579 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0579 Da |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
| SMILES | C1CC(C(C1)C(=O)O)C(=O)O |
| InChIKey | ASJCSAKCMTWGAH-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Cyclopentanedicarboxylate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Cyclopentanedicarboxylate. Following Lipinski's Rule of Five, 1,2-Cyclopentanedicarboxylate 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 1,2-Cyclopentanedicarboxylate is 50483-99-3.
The molecular formula of 1,2-Cyclopentanedicarboxylate is C7H10O4.
The molecular weight of 1,2-Cyclopentanedicarboxylate is 158.0579 g/mol.
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