![N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide structure](/static/products/578/578697-87-7.png)
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide
TL;DR: N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide (CAS 578697-87-7) is a chemical compound with molecular formula C22H24ClF3N2O3 and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-chlorobenzamide
Also Known As: N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide, N-(1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)-3-chlorobenzamide, N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-chloro-benzamide, N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-chlorobenzamide
| Molecular Formula | C22H24ClF3N2O3 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.6564 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.14276 |
| Heavy Atoms | 31 |
| Complexity | 970.993 |
Chemical Identifiers
| CAS Number | 578697-87-7 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)CC(C2)(C)C)C(C1=O)(C(F)(F)F)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide (CAS 578697-87-7), with molecular formula C22H24ClF3N2O3 and molecular weight 456.14 g/mol. IUPAC: N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-chlorobenzamide.
Chemical Property Profile of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide
Property Insights of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide
The XLogP value of 4.6564 indicates that N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide 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-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide. Following Lipinski's Rule of Five, N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide has 1 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 N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide?
The CAS number of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide is 578697-87-7.
What is the molecular formula of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide?
The molecular formula of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide is C22H24ClF3N2O3.
What is the molecular weight of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide?
The molecular weight of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide is 456.14 g/mol.
Where can I buy N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide?
You can request a quote for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.