TL;DR: Cromolyn sulfate (CAS 107032-81-5) is a chemical compound with molecular formula C23H16O14S and molecular weight 548.02606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-sulfooxypropoxy]-4-oxochromene-2-carboxylic acid
Also Known As: Cromolyn sulfate, 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-sulfooxypropoxy]-4-oxochromene-2-carboxylic acid, 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[[2-(sulfooxy)-1,3-propanediyl]bis(oxy)]bis[4-oxo-, 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-(sulfooxy)-1,3-propanediyl)bis(oxy))bis(4-oxo-, 5,5'-{[2-(Sulfooxy)propane-1,3-diyl]bis(oxy)}bis(4-oxo-4H-1-benzopyran-2-carboxylic acid)
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C23H16O14S |
| Molecular Weight | 548.02606 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.02606 Da |
| Heavy Atoms | 38 |
| Complexity | 1060.0 |
| SMILES | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)OS(=O)(=O)O)C(=O)C=C(O2)C(=O)O |
| InChIKey | KOMKRTNQZYEQST-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cromolyn sulfate. The TPSA of 218.0 Ų indicates high polarity, suggesting Cromolyn sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cromolyn sulfate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cromolyn sulfate is 107032-81-5.
The molecular formula of Cromolyn sulfate is C23H16O14S.
The molecular weight of Cromolyn sulfate is 548.02606 g/mol.
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