TL;DR: Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- (CAS 61042-98-6) is a chemical compound with molecular formula C8H18BrNO3 and molecular weight 255.04701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-2-hydroxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
Also Known As: D-(+)-Karnitinmethylesterbromid, D-(+)-Karnitinmethylesterbromid [German], (D)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide methyl ester, AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, BROMIDE, METHYL ESTER, (D)-, [(2R)-2-hydroxy-4-methoxy-4-oxobutyl]-trimethylazanium bromide
| Molecular Formula | C8H18BrNO3 |
| Molecular Weight | 255.04701 g/mol |
| XLogP | -3.38 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.04701 Da |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
| SMILES | C[N+](C)(C)C[C@@H](CC(=O)OC)O.[Br-] |
| InChIKey | WAQDCJDFPCWFQK-OGFXRTJISA-M |
The XLogP value of -3.38 indicates that Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- has 1 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 Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- is 61042-98-6.
The molecular formula of Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- is C8H18BrNO3.
The molecular weight of Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, methyl ester, (D)- is 255.04701 g/mol.
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