TL;DR: Edans (CAS 50402-56-7) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-((2-氨基乙基)氨基)萘-1-磺酸
5-(2-aminoethylamino)naphthalene-1-sulfonic acid
Also Known As: EDANS, 1,5-EDANS, 5-((2-Aminoethyl)amino)naphthalene-1-sulfonic acid, EDANS acid, EDANS (Standard)
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.0725 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0725 Da |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCN |
| InChIKey | SJQRQOKXQKVJGJ-UHFFFAOYSA-N |
The XLogP value of -1.3 indicates that Edans is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Edans. Following Lipinski's Rule of Five, Edans has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Edans is 50402-56-7.
The molecular formula of Edans is C12H14N2O3S.
The molecular weight of Edans is 266.0725 g/mol.
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