TL;DR: Dimethyl formylsuccinate (CAS 58026-12-3) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-formylbutanedioate
Also Known As: Dimethyl formylsuccinate, dimethyl 2-formylsuccinate, dimethyl 2-formylbutanedioate, dimethylformylsuccinate, 1,4-DIMETHYL 2-FORMYLBUTANEDIOATE
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H10O5 |
| Molecular Weight | 174.05283 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.05283 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | COC(=O)CC(C=O)C(=O)OC |
| InChIKey | RYFFRHSMYJVFER-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that Dimethyl formylsuccinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl formylsuccinate. Following Lipinski's Rule of Five, Dimethyl formylsuccinate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dimethyl formylsuccinate is 58026-12-3.
The molecular formula of Dimethyl formylsuccinate is C7H10O5.
The molecular weight of Dimethyl formylsuccinate is 174.05283 g/mol.
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