![N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide structure](/static/products/5726/5726-91-0.webp)
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
TL;DR: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide (CAS 5726-91-0) is a chemical compound with molecular formula C23H16ClF3N2O3 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Also Known As: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide, N-[4-Chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide
| Molecular Formula | C23H16ClF3N2O3 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 5.5269 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.08017 |
| Heavy Atoms | 32 |
| Complexity | 1206.2054 |
Chemical Identifiers
| CAS Number | 5726-91-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F |
Product Overview
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide (CAS 5726-91-0), with molecular formula C23H16ClF3N2O3 and molecular weight 460.08 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide.
Chemical Property Profile of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
Property Insights of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
The XLogP value of 5.5269 indicates that N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide. Following Lipinski's Rule of Five, N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide?
The CAS number of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide is 5726-91-0.
What is the molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide?
The molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide is C23H16ClF3N2O3.
What is the molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide?
The molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide is 460.08 g/mol.
Where can I buy N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide?
You can request a quote for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.