1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one
TL;DR: 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one (CAS 896649-51-7) is a chemical compound with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxoethyl]indol-2-one
Also Known As: 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one, 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxo-ethyl]indol-2-one, 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxoethyl]indol-2-one, 1-(2,4-dimethylbenzyl)-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C25H22N2O5 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 4.21904 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.15286 |
| Heavy Atoms | 32 |
| Complexity | 1252.5846 |
Chemical Identifiers
| CAS Number | 896649-51-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=CC=C4[N+](=O)[O-])O)C |
Product Overview
1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one (CAS 896649-51-7), with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol. IUPAC: 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-[2-(2-nitrophenyl)-2-oxoethyl]indol-2-one.
Chemical Property Profile of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one
Property Insights of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one
The XLogP value of 4.21904 indicates that 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one. Following Lipinski's Rule of Five, 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one has 1 hydrogen bond donor(s) and 5 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-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one?
The CAS number of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one is 896649-51-7.
What is the molecular formula of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one?
The molecular formula of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one is C25H22N2O5.
What is the molecular weight of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one?
The molecular weight of 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one is 430.15 g/mol.
Where can I buy 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one?
You can request a quote for 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dimethylbenzyl)-3-hydroxy-3-(2-(2-nitrophenyl)-2-oxoethyl)indolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.