TL;DR: 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol (CAS 86820-21-5) is a chemical compound with molecular formula C8H10FNO3 and molecular weight 187.06447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol
Also Known As: 6-Fluoronorepinephrine, 5-Fluoronorepinephrine, 6-fluoro-NE, 6-fluoro-noradrenaline, 4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10FNO3 |
| Molecular Weight | 187.06447 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06447 Da |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
| SMILES | C1=C(C(=CC(=C1O)O)F)C(CN)O |
| InChIKey | SBUQBFTXTZSRMH-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol. Following Lipinski's Rule of Five, 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol has 4 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 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol is 86820-21-5.
The molecular formula of 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol is C8H10FNO3.
The molecular weight of 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol is 187.06447 g/mol.
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