4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide
TL;DR: 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide (CAS 844449-23-6) is a chemical compound with molecular formula C29H31F3N2O5 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide
Also Known As: 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide, N-[1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-4-(propan-2-yloxy)benzamide, N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide
| Molecular Formula | C29H31F3N2O5 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 5.1989 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.2185 |
| Heavy Atoms | 39 |
| Complexity | 1331.1785 |
Chemical Identifiers
| CAS Number | 844449-23-6 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NC2(C3=C(CC(CC3=O)(C)C)N(C2=O)CC4=CC=CC=C4OC)C(F)(F)F |
Product Overview
4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide (CAS 844449-23-6), with molecular formula C29H31F3N2O5 and molecular weight 544.22 g/mol. IUPAC: N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide.
Chemical Property Profile of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide
Property Insights of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide
The XLogP value of 5.1989 indicates that 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide. Following Lipinski's Rule of Five, 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide?
The CAS number of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide is 844449-23-6.
What is the molecular formula of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide?
The molecular formula of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide is C29H31F3N2O5.
What is the molecular weight of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide?
The molecular weight of 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide is 544.22 g/mol.
Where can I buy 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide?
You can request a quote for 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-isopropoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.