TL;DR: Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate (CAS 1041285-62-4) is a chemical compound with molecular formula C9H13NNa2O5S and molecular weight 293.03098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate
Also Known As: Disodium 3-(2-acetamido-2-carboxylato-ethyl)sulfanylbutanoate, N-Acetyl-S-(3-carboxy-2-propyl)-L-cysteine Disodium Salt (Mixture of Diastereomers)
| Molecular Formula | C9H13NNa2O5S |
| Molecular Weight | 293.03098 g/mol |
| XLogP | -8.4893 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.03098 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | CC(CC(=O)[O-])SCC(C(=O)[O-])NC(=O)C.[Na+].[Na+] |
| InChIKey | MUCIEDHPXAQZRB-UHFFFAOYSA-L |
The XLogP value of -8.4893 indicates that Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate. Following Lipinski's Rule of Five, Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate has 1 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 Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate is 1041285-62-4.
The molecular formula of Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate is C9H13NNa2O5S.
The molecular weight of Disodium;3-(2-acetamido-2-carboxylatoethyl)sulfanylbutanoate is 293.03098 g/mol.
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