(S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid
TL;DR: (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid (CAS 1173673-02-3) is a chemical compound with molecular formula C18H26N2O5S2 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid, 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoic Acid, (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C18H26N2O5S2 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 1.71822 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.12833 |
| Heavy Atoms | 27 |
| Complexity | 756.4616 |
Chemical Identifiers
| CAS Number | 1173673-02-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid (CAS 1173673-02-3), with molecular formula C18H26N2O5S2 and molecular weight 414.13 g/mol. IUPAC: (2S)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid
Property Insights of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid
The XLogP value of 1.71822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid. Following Lipinski's Rule of Five, (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid?
The CAS number of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid is 1173673-02-3.
What is the molecular formula of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid?
The molecular formula of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid is C18H26N2O5S2.
What is the molecular weight of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid?
The molecular weight of (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid is 414.13 g/mol.
Where can I buy (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid?
You can request a quote for (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(methylthio)-2-(1-tosylpiperidine-4-carboxamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.