TL;DR: Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester (CAS 16676-66-7) is a chemical compound with molecular formula C7H16ClNO6 and molecular weight 245.06662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methoxy-3-oxopropyl)-trimethylazanium perchlorate
Also Known As: Homobetainmethylesterperchlorat, Homobetainmethylesterperchlorat [German], Cid 27988, (2-Carboxyethyl)trimethylammonium perchlorate methyl ester, AMMONIUM, (2-CARBOXYETHYL)TRIMETHYL-, PERCHLORATE, METHYL ESTER
| Molecular Formula | C7H16ClNO6 |
| Molecular Weight | 245.06662 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06662 Da |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
| SMILES | C[N+](C)(C)CCC(=O)OC.[O-]Cl(=O)(=O)=O |
| InChIKey | BUDCQHPWPHLPBK-UHFFFAOYSA-M |
The XLogP value of -4.5 indicates that Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester. Following Lipinski's Rule of Five, Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester is 16676-66-7.
The molecular formula of Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester is C7H16ClNO6.
The molecular weight of Ammonium, (2-carboxyethyl)trimethyl-, perchlorate, methyl ester is 245.06662 g/mol.
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