(S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide
TL;DR: (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide (CAS 956439-77-3) is a chemical compound with molecular formula C25H33N3O5S2 and molecular weight 519.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
Also Known As: (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide, N-[(2S)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide, (2S)-N-(4-METHOXYPHENYL)-2-{[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]FORMAMIDO}-4-(METHYLSULFANYL)BUTANAMIDE, N-[(1S)-1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide, N-[(2S)-1-[(4-methoxyphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
| Molecular Formula | C25H33N3O5S2 |
|---|---|
| Molecular Weight | 519.19 g/mol |
| LogP | 3.28092 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.18616 |
| Heavy Atoms | 35 |
| Complexity | 1096.9271 |
Chemical Identifiers
| CAS Number | 956439-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NC3=CC=C(C=C3)OC |
Product Overview
(S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide (CAS 956439-77-3), with molecular formula C25H33N3O5S2 and molecular weight 519.19 g/mol. IUPAC: N-[(2S)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
Chemical Property Profile of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide
Property Insights of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide
The XLogP value of 3.28092 indicates that (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide. Following Lipinski's Rule of Five, (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide?
The CAS number of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide is 956439-77-3.
What is the molecular formula of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide?
The molecular formula of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide is C25H33N3O5S2.
What is the molecular weight of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide?
The molecular weight of (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide is 519.19 g/mol.
Where can I buy (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide?
You can request a quote for (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(1-((4-methoxyphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-1-tosylpiperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.