(S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate
TL;DR: (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate (CAS 1173661-41-0) is a chemical compound with molecular formula C19H28N2O3S and molecular weight 364.18207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate, methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoate
Technical Specifications
| Molecular Formula | C19H28N2O3S |
| Molecular Weight | 364.18207 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.18207 Da |
| Heavy Atoms | 25 |
| Complexity | 419.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CCC(CC1)CC2=CC=CC=C2 |
| InChIKey | NUBYBAGMZVQRSU-KRWDZBQOSA-N |
Chemical Property Profile of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate
Property Insights of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate
The XLogP value of 3.2 indicates that (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate has 1 hydrogen bond donor(s) and 4 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 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate?
The CAS number of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate is 1173661-41-0.
What is the molecular formula of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate?
The molecular formula of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate is C19H28N2O3S.
What is the molecular weight of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate?
The molecular weight of (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate is 364.18207 g/mol.
Where can I buy (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate?
You can request a quote for (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(4-benzylpiperidine-1-carboxamido)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.