(S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid (CAS 1173668-87-5) is a chemical compound with molecular formula C16H28N2O5S and molecular weight 360.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid, (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C16H28N2O5S |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 1.956 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.1719 |
| Heavy Atoms | 24 |
| Complexity | 455.87436 |
Chemical Identifiers
| CAS Number | 1173668-87-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid (CAS 1173668-87-5), with molecular formula C16H28N2O5S and molecular weight 360.17 g/mol. IUPAC: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid
The XLogP value of 1.956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)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)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid is 1173668-87-5.
What is the molecular formula of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid is C16H28N2O5S.
What is the molecular weight of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid is 360.17 g/mol.
Where can I buy (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)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)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.