TL;DR: Dopamine-3-phosphate ester (CAS 103878-95-1) is a chemical compound with molecular formula C8H12NO5P and molecular weight 233.0453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(2-aminoethyl)-2-hydroxyphenyl] dihydrogen phosphate
Also Known As: Dopamine-3-phosphate ester, tyramine dihydrogenphosphate, [5-(2-aminoethyl)-2-hydroxyphenyl] dihydrogen phosphate, 5-(2-aminoethyl)-2-hydroxyphenyl dihydrogen phosphate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H12NO5P |
| Molecular Weight | 233.0453 g/mol |
| XLogP | -3.7 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0453 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | C1=CC(=C(C=C1CCN)OP(=O)(O)O)O |
| InChIKey | CFNYWRUYZRHPNN-UHFFFAOYSA-N |
The XLogP value of -3.7 indicates that Dopamine-3-phosphate ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dopamine-3-phosphate ester. Following Lipinski's Rule of Five, Dopamine-3-phosphate ester has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dopamine-3-phosphate ester is 103878-95-1.
The molecular formula of Dopamine-3-phosphate ester is C8H12NO5P.
The molecular weight of Dopamine-3-phosphate ester is 233.0453 g/mol.
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