TL;DR: Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- (CAS 111451-17-3) is a chemical compound with molecular formula C12H14O14 and molecular weight 382.03836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(1,2-dicarboxyethoxy)butanedioic acid
Also Known As: Sodium tartrate disuccinate, Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)-, 2,3-BIS(1,2-DICARBOXYETHOXY)BUTANEDIOIC ACID, 3,6-Dioxaoctane-1,2,4,5,7,8-hexacarboxylic acid, Hexasodium 2,3-bis(1,2-dicarboxyethoxy)butanedioate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14O14 |
| Molecular Weight | 382.03836 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.03836 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | C(C(C(=O)O)OC(C(C(=O)O)OC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | LQHFQYDCTTYMQM-UHFFFAOYSA-N |
The XLogP value of -2.6 indicates that Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- is 111451-17-3.
The molecular formula of Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- is C12H14O14.
The molecular weight of Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)- is 382.03836 g/mol.
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