TL;DR: Cgp 17520 (CAS 101706-66-5) is a chemical compound with molecular formula C22H24N8NaO9S2+ and molecular weight 631.1005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-hydroxyacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cgp 17520, sodium;7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-hydroxyacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-(4-(((2-amino-2-carboxyethoxy)carbonyl)amino)phenyl)-2-hydroxyacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, sodium salt, sodium 7-[[2-[4-[(2-amino-3-hydroxy-3-oxopropoxy)carbonylamino]phenyl]-2-hydroxyacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, T30815
| Molecular Formula | C22H24N8NaO9S2+ |
| Molecular Weight | 631.1005 g/mol |
| XLogP | -4.2612 |
| Topological Polar Surface Area (TPSA) | 303.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 631.1005 Da |
| Heavy Atoms | 42 |
| Complexity | 1090.0 |
| SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=C(C=C4)NC(=O)OCC(C(=O)O)N)O)SC2)C(=O)O.[Na+] |
| InChIKey | UJZPPUCTMLGVHV-UHFFFAOYSA-N |
The XLogP value of -4.2612 indicates that Cgp 17520 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 303.0 Ų indicates high polarity, suggesting Cgp 17520 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cgp 17520 has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cgp 17520 is 101706-66-5.
The molecular formula of Cgp 17520 is C22H24N8NaO9S2+.
The molecular weight of Cgp 17520 is 631.1005 g/mol.
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