2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid
TL;DR: 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid (CAS 394655-15-3) is a chemical compound with molecular formula C16H19Cl3N2O2S and molecular weight 408.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]azepane-1-carboximidoyl chloride
Also Known As: 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid, N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]azepane-1-carboximidoyl chloride
| Molecular Formula | C16H19Cl3N2O2S |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 4.84372 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.0233 |
| Heavy Atoms | 24 |
| Complexity | 731.09094 |
Chemical Identifiers
| CAS Number | 394655-15-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)N=C(N2CCCCCC2)Cl |
Product Overview
2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid (CAS 394655-15-3), with molecular formula C16H19Cl3N2O2S and molecular weight 408.02 g/mol. IUPAC: N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]azepane-1-carboximidoyl chloride.
Chemical Property Profile of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid
Property Insights of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid
The XLogP value of 4.84372 indicates that 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid has 0 hydrogen bond donor(s) and 3 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 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
The CAS number of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid is 394655-15-3.
What is the molecular formula of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
The molecular formula of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid is C16H19Cl3N2O2S.
What is the molecular weight of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
The molecular weight of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid is 408.02 g/mol.
Where can I buy 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
You can request a quote for 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.