TL;DR: Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate (CAS 1103-39-5) is a chemical compound with molecular formula C40H26CaN4O8S2 and molecular weight 794.0818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis(2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate)
Also Known As: Pigment Red 49:2, Calcium Lithol, Eljon Bordeaux, Lithol Red CA, Calcotone Red 2B
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C40H26CaN4O8S2 |
| Molecular Weight | 794.0818 g/mol |
| XLogP | 9.66 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 794.0818 Da |
| Heavy Atoms | 55 |
| Complexity | 634.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])O.[Ca+2] |
| InChIKey | UETSCOQSVNUXDH-UHFFFAOYSA-L |
The XLogP value of 9.66 indicates that Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate is 1103-39-5.
The molecular formula of Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate is C40H26CaN4O8S2.
The molecular weight of Calcium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate is 794.0818 g/mol.
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