TL;DR: Catecholamine (CAS 13608-28-1) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.047676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminobenzene-1,2-diol
Also Known As: 3-aminobenzene-1,2-diol, 3-aminocatechol, Catecholamine, 3-amino-1,2-benzenediol, Aminobenzenediol
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.047676 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.047676 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| SMILES | C1=CC(=C(C(=C1)O)O)N |
| InChIKey | MGBKJKDRMRAZKC-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catecholamine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Catecholamine. Following Lipinski's Rule of Five, Catecholamine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Catecholamine is 13608-28-1.
The molecular formula of Catecholamine is C6H7NO2.
The molecular weight of Catecholamine is 125.047676 g/mol.
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