![4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile structure](/static/products/838/838867-25-7.png)
4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile
TL;DR: 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile (CAS 838867-25-7) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile
Also Known As: 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile, 4-[3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile, 4-(3-(2-(2,5-dimethylphenyl)-2-oxoethyl)-3-hydroxy-2-oxoindolin-1-yl)butanenitrile
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 3.41442 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 944.81433 |
Chemical Identifiers
| CAS Number | 838867-25-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(=O)CC2(C3=CC=CC=C3N(C2=O)CCCC#N)O |
Product Overview
4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile (CAS 838867-25-7), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: 4-[3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]butanenitrile.
Chemical Property Profile of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile
Property Insights of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile
The XLogP value of 3.41442 indicates that 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile. Following Lipinski's Rule of Five, 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile 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 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile?
The CAS number of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile is 838867-25-7.
What is the molecular formula of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile?
The molecular formula of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile is C22H22N2O3.
What is the molecular weight of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile?
The molecular weight of 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile is 362.16 g/mol.
Where can I buy 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile?
You can request a quote for 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.