TL;DR: DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester (CAS 105755-08-6) is a chemical compound with molecular formula C19H27NO4S2 and molecular weight 397.13815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (2S)-2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanylbutanoate
Also Known As: MG 28226, N-(3-(Benzoylthio)-1-oxopropyl)-DL-methionine butyl ester, DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester, Estere n-butilico della N-(3-benzoilmercaptopropionil)-DL-metionina [Italian], Estere n-butilico della N-(3-benzoilmercaptopropionil)-DL-metionina
| Molecular Formula | C19H27NO4S2 |
| Molecular Weight | 397.13815 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 397.13815 Da |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
| SMILES | CCCCOC(=O)[C@H](CCSC)NC(=O)CCSC(=O)C1=CC=CC=C1 |
| InChIKey | MVORFGAHRQXXSO-INIZCTEOSA-N |
The XLogP value of 3.8 indicates that DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester. Following Lipinski's Rule of Five, DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester is 105755-08-6.
The molecular formula of DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester is C19H27NO4S2.
The molecular weight of DL-Methionine, N-(3-(benzoylthio)-1-oxopropyl)-, butyl ester is 397.13815 g/mol.
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