TL;DR: L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)- (CAS 158861-44-0) is a chemical compound with molecular formula C15H24N2O2S and molecular weight 296.15585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-4-methylsulfanylbutanoate
Also Known As: L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)-, Methyl N-[(2S)-2-amino-3-phenylpropyl]-L-methioninate, Methyl (2S)-2-[[(2S)-2-amino-3-phenyl-propyl]amino]-4-methylsulfanyl-butanoate
| Molecular Formula | C15H24N2O2S |
| Molecular Weight | 296.15585 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 296.15585 Da |
| Heavy Atoms | 20 |
| Complexity | 271.0 |
| SMILES | COC(=O)[C@H](CCSC)NC[C@H](CC1=CC=CC=C1)N |
| InChIKey | KYUAQIGLLMVBRG-KBPBESRZSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)-. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)-. Following Lipinski's Rule of Five, L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)- has 2 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 L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)- is 158861-44-0.
The molecular formula of L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)- is C15H24N2O2S.
The molecular weight of L-Methionine, N-(2-amino-3-phenylpropyl)-, methyl ester, (S)- is 296.15585 g/mol.
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