(S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate
TL;DR: (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate (CAS 1173663-08-5) is a chemical compound with molecular formula C19H28N2O5S and molecular weight 396.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate
Also Known As: (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate, methyl N-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-valinate, methyl (2S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoate
Technical Specifications
| Molecular Formula | C19H28N2O5S |
| Molecular Weight | 396.1719 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.1719 Da |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)OC |
| InChIKey | HMMBEZWTQMGOMQ-KRWDZBQOSA-N |
Chemical Property Profile of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate
Property Insights of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate has 1 hydrogen bond donor(s) and 6 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 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate?
The CAS number of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate is 1173663-08-5.
What is the molecular formula of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate?
The molecular formula of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate is C19H28N2O5S.
What is the molecular weight of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate?
The molecular weight of (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate is 396.1719 g/mol.
Where can I buy (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate?
You can request a quote for (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 3-methyl-2-(1-tosylpiperidine-4-carboxamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.