TL;DR: 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione (CAS 142082-54-0) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-3,4-dihydroxypyrrolidine-2,5-dione
Also Known As: 1-butyl-3,4-dihydroxypyrrolidine-2,5-dione, 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione
| Molecular Formula | C8H13NO4 |
| Molecular Weight | 187.08446 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.08446 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | CCCCN1C(=O)C(C(C1=O)O)O |
| InChIKey | WSRKOIRZUJKVLL-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione 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-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione is 142082-54-0.
The molecular formula of 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione is C8H13NO4.
The molecular weight of 1-Butyl-3,4-dihydroxy-pyrrolidine-2,5-dione is 187.08446 g/mol.
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