1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
TL;DR: 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione (CAS 577986-39-1) is a chemical compound with molecular formula C17H15ClF3NO3 and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
Also Known As: 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione, 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione, 1-(4-Chloro-phenyl)-3-hydroxy-6,6-dimethyl-3-trifluoromethyl-3,5,6,7-tetrahydro-1H-indole-2,4-dione, 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indole-2,4(3H,5H)-dione
| Molecular Formula | C17H15ClF3NO3 |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 3.6232 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.06924 |
| Heavy Atoms | 25 |
| Complexity | 798.35126 |
Chemical Identifiers
| CAS Number | 577986-39-1 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=C(C=C3)Cl)(C(F)(F)F)O)C |
Product Overview
1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione (CAS 577986-39-1), with molecular formula C17H15ClF3NO3 and molecular weight 373.07 g/mol. IUPAC: 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Property Insights of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
The XLogP value of 3.6232 indicates that 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione 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 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
The CAS number of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is 577986-39-1.
What is the molecular formula of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
The molecular formula of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is C17H15ClF3NO3.
What is the molecular weight of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
The molecular weight of 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione is 373.07 g/mol.
Where can I buy 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
You can request a quote for 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.