![(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid structure](/static/products/117/1173682-19-3.png)
(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
TL;DR: (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid (CAS 1173682-19-3) is a chemical compound with molecular formula C21H31N3O6S and molecular weight 453.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
Also Known As: (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid, (S)-3-methyl-2-(1-((S)-2-(4-methylphenylsulfonamido)propanoyl)piperidine-4-carboxamido)butanoic acid
| Molecular Formula | C21H31N3O6S |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | 1.12582 |
| Topological Polar Surface Area | 132.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.19336 |
| Heavy Atoms | 31 |
| Complexity | 905.54767 |
Chemical Identifiers
| CAS Number | 1173682-19-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid (CAS 1173682-19-3), with molecular formula C21H31N3O6S and molecular weight 453.19 g/mol. IUPAC: (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
Property Insights of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
The XLogP value of 1.12582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid. The TPSA of 132.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid has 3 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 (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid?
The CAS number of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid is 1173682-19-3.
What is the molecular formula of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid?
The molecular formula of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid is C21H31N3O6S.
What is the molecular weight of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid?
The molecular weight of (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid is 453.19 g/mol.
Where can I buy (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid?
You can request a quote for (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.