TL;DR: 2-Azido-3-phenylmethoxypropanoic acid (CAS 114519-05-0) is a chemical compound with molecular formula C10H11N3O3 and molecular weight 221.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-azido-3-phenylmethoxypropanoic acid
Also Known As: 2-azido-3-phenylmethoxypropanoic acid, 2-azido-3-phenylmethoxy-propanoic Acid, (S)-2-azido-3-(benzyloxy)propanoic acid, Propanoic acid, 2-azido-3-(phenylmethoxy)-, (S)-, Phenylmethyl,[5,8,13,14-tetrahydro-14-methyl-8,13-dioxobenz[5,6]isoindolo[2,1-b]isoquinolin-9-yl]phosphoric acid
| Molecular Formula | C10H11N3O3 |
| Molecular Weight | 221.08005 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.08005 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | C1=CC=C(C=C1)COCC(C(=O)O)N=[N+]=[N-] |
| InChIKey | PKDMVXDVKOWUKJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azido-3-phenylmethoxypropanoic acid. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Azido-3-phenylmethoxypropanoic acid. Following Lipinski's Rule of Five, 2-Azido-3-phenylmethoxypropanoic acid has 1 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 2-Azido-3-phenylmethoxypropanoic acid is 114519-05-0.
The molecular formula of 2-Azido-3-phenylmethoxypropanoic acid is C10H11N3O3.
The molecular weight of 2-Azido-3-phenylmethoxypropanoic acid is 221.08005 g/mol.
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