3,4-dimethoxy-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: 3,4-dimethoxy-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 844826-31-9) is a chemical compound with molecular formula C28H29F3N2O6 and molecular weight 546.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
Also Known As: 3,4-dimethoxy-N-(1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)benzamide, 3,4-dimethoxy-N-[1-(2-methoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide, 3,4-dimethoxy-N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
| Molecular Formula | C28H29F3N2O6 |
|---|---|
| Molecular Weight | 546.20 g/mol |
| LogP | 4.4289 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.19775 |
| Heavy Atoms | 39 |
| Complexity | 1367.3074 |
Chemical Identifiers
| CAS Number | 844826-31-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CC=C3OC)(C(F)(F)F)NC(=O)C4=CC(=C(C=C4)OC)OC)C |
Product Overview
3,4-dimethoxy-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 844826-31-9), with molecular formula C28H29F3N2O6 and molecular weight 546.20 g/mol. IUPAC: 3,4-dimethoxy-N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-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 3,4-dimethoxy-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 4.4289 indicates that 3,4-dimethoxy-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 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-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, 3,4-dimethoxy-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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dimethoxy-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 3,4-dimethoxy-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 844826-31-9.
What is the molecular formula of 3,4-dimethoxy-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 3,4-dimethoxy-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 C28H29F3N2O6.
What is the molecular weight of 3,4-dimethoxy-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 3,4-dimethoxy-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 546.20 g/mol.
Where can I buy 3,4-dimethoxy-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 3,4-dimethoxy-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 3,4-dimethoxy-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 3,4-dimethoxy-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.