TL;DR: 3-Chlorophenylalanine (CAS 1956-15-6) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(3-chlorophenyl)propanoic acid
Also Known As: 3-CHLORO-DL-PHENYLALANINE, 3-Chlorophenylalanine, 2-amino-3-(3-chlorophenyl)propanoic acid, h-dl-phe(3-cl)-oh, 3-chloro-L-phenylalanine
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.04001 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.04001 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | C1=CC(=CC(=C1)Cl)CC(C(=O)O)N |
| InChIKey | JJDJLFDGCUYZMN-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that 3-Chlorophenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chlorophenylalanine. Following Lipinski's Rule of Five, 3-Chlorophenylalanine has 2 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 3-Chlorophenylalanine is 1956-15-6.
The molecular formula of 3-Chlorophenylalanine is C9H10ClNO2.
The molecular weight of 3-Chlorophenylalanine is 199.04001 g/mol.
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