TL;DR: DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- (CAS 127852-93-1) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate
Also Known As: N-cinnamoylleucine methyl ester, trans-N-Cinnamoyl-D,L-leucine methyl ester, N-trans-Cinnamoyl-L-leucine methyl ester, DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-, (E)-N-(1-Oxo-3-phenyl-2-propenyl)-DL-leucine methyl ester
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.15213 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.15213 Da |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | OXFYLVKTVPTJPQ-HBWSCVEGSA-N |
The XLogP value of 3.3 indicates that DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- has 1 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 DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is 127852-93-1.
The molecular formula of DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is C16H21NO3.
The molecular weight of DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is 275.15213 g/mol.
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