TL;DR: beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) (CAS 67874-43-5) is a chemical compound with molecular formula C14H20N2Na4O8 and molecular weight 436.08105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]propanoate
Also Known As: beta-Alanine, N,N'-1,2-ethanediylbis[N-(2-carboxyethyl)-, tetrasodium salt, Tetrasodium ethylenediamine-N,N,N',N'-tetrapropionate, tetrasodium 3,3',3'',3'''-(ethane-1,2-diyldinitrilo)tetrapropanoate, PAMAM Dendrimer, ethylenediamine core, Generation -0.5, tetrasodium;3-[2-[bis(2-carboxylatoethyl)amino]ethyl-(2-carboxylatoethyl)amino]propanoate
| Molecular Formula | C14H20N2Na4O8 |
| Molecular Weight | 436.08105 g/mol |
| XLogP | -17.83 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 436.08105 Da |
| Heavy Atoms | 28 |
| Complexity | 342.0 |
| SMILES | C(CN(CCC(=O)[O-])CCN(CCC(=O)[O-])CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | CJVPOGPEEJPBFT-UHFFFAOYSA-J |
The XLogP value of -17.83 indicates that beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) is 67874-43-5.
The molecular formula of beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) is C14H20N2Na4O8.
The molecular weight of beta-Alanine, N,N'-1,2-ethanediylbis(N-(2-carboxyethyl)-, sodium salt (1:4) is 436.08105 g/mol.
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