L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
TL;DR: L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- (CAS 124815-64-1) is a chemical compound with molecular formula C16H21NO4S and molecular weight 323.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]propanoate
Also Known As: L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-, (S)-N-(2-Acetylthiomethyl-1-oxo-3-phenylpropyl)-(S)-alanine methyl ester, (S)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)-L-alanine methyl ester, Methyl N-{(2S)-2-[(acetylsulfanyl)methyl]-3-phenylpropanoyl}-L-alaninate, methyl (2S)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]propanoate
Technical Specifications
| Molecular Formula | C16H21NO4S |
| Molecular Weight | 323.11914 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.11914 Da |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
| SMILES | C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C |
| InChIKey | IILAXUDEBIWXHF-SMDDNHRTSA-N |
Chemical Property Profile of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
Property Insights of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-. Following Lipinski's Rule of Five, L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-?
The CAS number of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- is 124815-64-1.
What is the molecular formula of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-?
The molecular formula of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- is C16H21NO4S.
What is the molecular weight of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-?
The molecular weight of L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- is 323.11914 g/mol.
Where can I buy L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-?
You can request a quote for L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-?
Yes, CoreyChem provides custom synthesis services for L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.