TL;DR: 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester (CAS 62554-36-3) is a chemical compound with molecular formula C23H15NO6 and molecular weight 401.08994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxylate
Also Known As: Phenyl 1-hydroxy-4-(4-nitrophenoxy)-2-naphthoate, phenyl 1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxylate, 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester, 1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid phenyl ester, 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenylester
| Molecular Formula | C23H15NO6 |
| Molecular Weight | 401.08994 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.08994 Da |
| Heavy Atoms | 30 |
| Complexity | 593.0 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)[N+](=O)[O-])O |
| InChIKey | MHGYCNASCKWCTE-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester. Following Lipinski's Rule of Five, 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester is 62554-36-3.
The molecular formula of 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester is C23H15NO6.
The molecular weight of 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester is 401.08994 g/mol.
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