TL;DR: 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- (CAS 29727-70-6) is a chemical compound with molecular formula C11H11NO6S2 and molecular weight 317.00278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid
Also Known As: 6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid, 6-Amino-5-sulfomethyl-2-naphthalenesulfonic acid, 2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-SULFOMETHYL-, Kyselina 1-sulfomethyl-2-naftylamin-6-sulfonova, Kyselina 1-sulfomethyl-2-naftylamin-6-sulfonova [Czech]
| Molecular Formula | C11H11NO6S2 |
| Molecular Weight | 317.00278 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.00278 Da |
| Heavy Atoms | 20 |
| Complexity | 546.0 |
| SMILES | C1=CC2=C(C=CC(=C2CS(=O)(=O)O)N)C=C1S(=O)(=O)O |
| InChIKey | FHAPCIVDWNIOPS-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- is 29727-70-6.
The molecular formula of 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- is C11H11NO6S2.
The molecular weight of 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- is 317.00278 g/mol.
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