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 408.0233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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, E87883
Technical Specifications
| Molecular Formula | C16H19Cl3N2O2S |
| Molecular Weight | 408.0233 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0233 Da |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)N=C(N2CCCCCC2)Cl |
| InChIKey | CSKXECSGRTUOJF-UHFFFAOYSA-N |
Product Description
Applications: AC1M1H51 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1M1H51 (CAS 394655-15-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, AC1M1H51 (CAS 394655-15-3) has the molecular formula C16H19Cl3N2O2S and a molecular weight of 408.02 g/mol. It is also known as 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid and N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]azepane-1-carboximidoyl chloride.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
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 5.2 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 58.1 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), which may warrant consideration for formulation optimization.
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 408.0233 g/mol.
What are the applications of 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
AC1M1H51 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1M1H51 (CAS 394655-15-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-dioxo-4-(4-piperidin-1-ylphenyl)butanoic acid?
Yes, CoreyChem 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.