3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate
TL;DR: 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate (CAS 313496-08-1) is a chemical compound with molecular formula C18H16N2O8 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-ethoxy-1-(3-nitrophenyl)-3-oxopropyl] 4-nitrobenzoate
Also Known As: 3-ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate, [3-ethoxy-1-(3-nitrophenyl)-3-oxopropyl] 4-nitrobenzoate, ethyl 3-(3-nitrophenyl)-3-(4-nitrophenylcarbonyloxy)propanoate
| Molecular Formula | C18H16N2O8 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 3.3543 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.09067 |
| Heavy Atoms | 28 |
| Complexity | 894.71356 |
Chemical Identifiers
| CAS Number | 313496-08-1 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate (CAS 313496-08-1), with molecular formula C18H16N2O8 and molecular weight 388.09 g/mol. IUPAC: [3-ethoxy-1-(3-nitrophenyl)-3-oxopropyl] 4-nitrobenzoate.
Chemical Property Profile of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate
Property Insights of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate
The XLogP value of 3.3543 indicates that 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 8 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 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate?
The CAS number of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate is 313496-08-1.
What is the molecular formula of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate?
The molecular formula of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate is C18H16N2O8.
What is the molecular weight of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate?
The molecular weight of 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate is 388.09 g/mol.
Where can I buy 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate?
You can request a quote for 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-1-(3-nitrophenyl)-3-oxopropyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.