ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
TL;DR: ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate (CAS 376604-66-9) is a chemical compound with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
Also Known As: ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate, ethyl 2-[3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate, ethyl 2-(3-hydroxy-3-(2-(4-nitrophenyl)-2-oxoethyl)-2-oxoindolin-1-yl)acetate, ETHYL 2-{3-HYDROXY-3-[2-(4-NITROPHENYL)-2-OXOETHYL]-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL}ACETATE
| Molecular Formula | C20H18N2O7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 1.9651 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1114 |
| Heavy Atoms | 29 |
| Complexity | 986.57916 |
Chemical Identifiers
| CAS Number | 376604-66-9 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O |
Product Overview
ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate (CAS 376604-66-9), with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol. IUPAC: ethyl 2-[3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate.
Chemical Property Profile of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
Property Insights of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
The XLogP value of 1.9651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate. Following Lipinski's Rule of Five, ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate has 1 hydrogen bond donor(s) and 7 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 {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate?
The CAS number of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate is 376604-66-9.
What is the molecular formula of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate?
The molecular formula of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate is C20H18N2O7.
What is the molecular weight of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate?
The molecular weight of ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate is 398.11 g/mol.
Where can I buy ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate?
You can request a quote for ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.