(S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate
TL;DR: (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate (CAS 1173665-14-9) is a chemical compound with molecular formula C17H25N3O3S and molecular weight 351.16165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methylsulfanyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoate
Also Known As: (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate, methyl (2S)-4-methylsulfanyl-2-[(4-phenylpiperazine-1-carbonyl)amino]butanoate
Technical Specifications
| Molecular Formula | C17H25N3O3S |
| Molecular Weight | 351.16165 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.16165 Da |
| Heavy Atoms | 24 |
| Complexity | 408.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CCN(CC1)C2=CC=CC=C2 |
| InChIKey | SHNPJJZKLBEZSH-HNNXBMFYSA-N |
Chemical Property Profile of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate
Property Insights of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate 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 (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate?
The CAS number of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate is 1173665-14-9.
What is the molecular formula of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate?
The molecular formula of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate is C17H25N3O3S.
What is the molecular weight of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate?
The molecular weight of (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate is 351.16165 g/mol.
Where can I buy (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate?
You can request a quote for (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 4-(methylthio)-2-(4-phenylpiperazine-1-carboxamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.