![ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate structure](/static/products/7123/712346-33-3.webp)
ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate
TL;DR: ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate (CAS 712346-33-3) is a chemical compound with molecular formula C21H23F3N2O4 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]carbamate
Also Known As: ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate, ethyl (1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)carbamate, ethyl N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]carbamate
| Molecular Formula | C21H23F3N2O4 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.7192 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.16098 |
| Heavy Atoms | 30 |
| Complexity | 908.5766 |
Chemical Identifiers
| CAS Number | 712346-33-3 |
|---|---|
| SMILES | CCOC(=O)NC1(C2=C(CC(CC2=O)(C)C)N(C1=O)CC3=CC=CC=C3)C(F)(F)F |
Product Overview
ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate (CAS 712346-33-3), with molecular formula C21H23F3N2O4 and molecular weight 424.16 g/mol. IUPAC: ethyl N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]carbamate.
Chemical Property Profile of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate
Property Insights of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate
The XLogP value of 3.7192 indicates that ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate. Following Lipinski's Rule of Five, ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate has 1 hydrogen bond donor(s) and 4 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 ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate?
The CAS number of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate is 712346-33-3.
What is the molecular formula of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate?
The molecular formula of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate is C21H23F3N2O4.
What is the molecular weight of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate?
The molecular weight of ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate is 424.16 g/mol.
Where can I buy ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate?
You can request a quote for ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.