TL;DR: Butanoic acid, (2S)-2,3-dihydroxypropyl ester (CAS 107615-19-0) is a chemical compound with molecular formula C7H14O4 and molecular weight 162.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-2,3-dihydroxypropyl] butanoate
Also Known As: Monobutyrin, Monobutyrin, (S)-, (S)-monobutyrin, (+)-1-Monobutyrin, starbld0033196
| Molecular Formula | C7H14O4 |
| Molecular Weight | 162.0892 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.0892 Da |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
| SMILES | CCCC(=O)OC[C@H](CO)O |
| InChIKey | RIEABXYBQSLTFR-LURJTMIESA-N |
The XLogP value of -0.2 indicates that Butanoic acid, (2S)-2,3-dihydroxypropyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, (2S)-2,3-dihydroxypropyl ester. Following Lipinski's Rule of Five, Butanoic acid, (2S)-2,3-dihydroxypropyl ester 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 Butanoic acid, (2S)-2,3-dihydroxypropyl ester is 107615-19-0.
The molecular formula of Butanoic acid, (2S)-2,3-dihydroxypropyl ester is C7H14O4.
The molecular weight of Butanoic acid, (2S)-2,3-dihydroxypropyl ester is 162.0892 g/mol.
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