2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
TL;DR: 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate (CAS 474377-33-8) is a chemical compound with molecular formula C20H20N2O7 and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate
Also Known As: 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate, [2-(3-nitrophenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate, 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)propanoate, 2-(3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl) propanoate, 2-(3-nitrophenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoate
| Molecular Formula | C20H20N2O7 |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 1.7419 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.12704 |
| Heavy Atoms | 29 |
| Complexity | 883.8457 |
Chemical Identifiers
| CAS Number | 474377-33-8 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate (CAS 474377-33-8), with molecular formula C20H20N2O7 and molecular weight 400.13 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate.
Chemical Property Profile of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Property Insights of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
The XLogP value of 1.7419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate has 0 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 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate?
The CAS number of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate is 474377-33-8.
What is the molecular formula of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate?
The molecular formula of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate is C20H20N2O7.
What is the molecular weight of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate?
The molecular weight of 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate is 400.13 g/mol.
Where can I buy 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate?
You can request a quote for 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.