TL;DR: L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- (CAS 127750-59-8) is a chemical compound with molecular formula C15H19NO3S and molecular weight 293.10855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate
Also Known As: N-Cinnamoyl-L-methionine methyl ester, N-trans-Cinnamoyl-L-methionine methyl ester, (E)-N-(1-Oxo-3-phenyl-2-propenyl)-L-methionine methyl ester, J2.130.594D, L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
| Molecular Formula | C15H19NO3S |
| Molecular Weight | 293.10855 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.10855 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | WYVOPVXEPMYEBC-XEHSLEBBSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-. Following Lipinski's Rule of Five, L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- 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 L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is 127750-59-8.
The molecular formula of L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is C15H19NO3S.
The molecular weight of L-Methionine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)- is 293.10855 g/mol.
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