TL;DR: N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester (CAS 64187-42-4) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethenyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: L-Phenylalanine, ethenyl ester, N-Carbobenzoxy-L-phenylalanine vinyl ester, N-Benzyloxycarbonyl-L-phenylalanine vinyl ester, DL-N-Benzyloxycarbonyl-3-phenylalanine vinyl ester, L-N-Carboxy-3-phenylalanine N-benzyl 1-vinyl ester
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.1314 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 325.1314 Da |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
| SMILES | C=COC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | XCGDYLANQZQVNE-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester. Following Lipinski's Rule of Five, N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester has 1 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 N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester is 64187-42-4.
The molecular formula of N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester is C19H19NO4.
The molecular weight of N-Benzyloxycarbonyl-DL-phenylalanine vinyl ester is 325.1314 g/mol.
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