TL;DR: RefChem:1076759 (CAS 61043-00-3) is a chemical compound with molecular formula C10H20BrNO4 and molecular weight 297.05756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-2-acetyloxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
Also Known As: L(-)-Azetylkarnitinmethylesterbromid, L(-)-Azetylkarnitinmethylesterbromid [German], Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, acetate, (L)-, (L)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide methyl ester acetate, [(2S)-2-acetyloxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
| Molecular Formula | C10H20BrNO4 |
| Molecular Weight | 297.05756 g/mol |
| XLogP | -2.81 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.05756 Da |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
| SMILES | CC(=O)O[C@@H](CC(=O)OC)C[N+](C)(C)C.[Br-] |
| InChIKey | GBCPRKRBVFHBGT-FVGYRXGTSA-M |
The XLogP value of -2.81 indicates that RefChem:1076759 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1076759 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076759 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 RefChem:1076759 is 61043-00-3.
The molecular formula of RefChem:1076759 is C10H20BrNO4.
The molecular weight of RefChem:1076759 is 297.05756 g/mol.
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