2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate
TL;DR: 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate (CAS 885886-38-4) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.10593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
Also Known As: 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate, UPCMLD0ENAT5952909:001, VU0510797-1, [2-(3-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate, 2-(3-nitrophenyl)-2-oxoethyl 3-indol-3-ylpropanoate
Technical Specifications
| Molecular Formula | C19H16N2O5 |
| Molecular Weight | 352.10593 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.10593 Da |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | BWIHSBOCRRHIMI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate
Property Insights of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate
The XLogP value of 3.3 indicates that 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate 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
What is the CAS number of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
The CAS number of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is 885886-38-4.
What is the molecular formula of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
The molecular formula of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is C19H16N2O5.
What is the molecular weight of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
The molecular weight of 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate is 352.10593 g/mol.
Where can I buy 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
You can request a quote for 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for 2-(3-nitrophenyl)-2-oxoethyl 3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.