TL;DR: chlorotyrosine (CAS 144978-56-3) is a chemical compound with molecular formula C9H10ClNO3 and molecular weight 215.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(chloroamino)-3-(4-hydroxyphenyl)propanoic acid
Also Known As: chlorotyrosine, 2-(chloroamino)-3-(4-hydroxyphenyl)propanoic acid, (2S)-2-(chloroamino)-3-(4-hydroxyphenyl)propanoic Acid
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.03493 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.03493 Da |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)NCl)O |
| InChIKey | HKDIYFPRGVYHOI-QMMMGPOBSA-N |
The XLogP value of -1.0 indicates that chlorotyrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for chlorotyrosine. Following Lipinski's Rule of Five, chlorotyrosine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of chlorotyrosine is 144978-56-3.
The molecular formula of chlorotyrosine is C9H10ClNO3.
The molecular weight of chlorotyrosine is 215.03493 g/mol.
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