TL;DR: 2,3-Dibromohexanedioic acid (CAS 63905-30-6) is a chemical compound with molecular formula C6H8Br2O4 and molecular weight 301.87894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dibromohexanedioic acid
Also Known As: alpha,beta-Dibromoadipic acid, 2,3-Dibromoadipic acid, 2,3-dibromohexanedioic acid, 2,3-Dibromoadipicacid, Hexanedioic acid,3-dibromo-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H8Br2O4 |
| Molecular Weight | 301.87894 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.8769 Da |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
| SMILES | C(CC(=O)O)C(C(C(=O)O)Br)Br |
| InChIKey | NCYXNUHATKQYGV-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromohexanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dibromohexanedioic acid. Following Lipinski's Rule of Five, 2,3-Dibromohexanedioic 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 2,3-Dibromohexanedioic acid is 63905-30-6.
The molecular formula of 2,3-Dibromohexanedioic acid is C6H8Br2O4.
The molecular weight of 2,3-Dibromohexanedioic acid is 301.87894 g/mol.
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