![2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate structure](/static/products/383/383402-34-4.png)
2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate
TL;DR: 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate (CAS 383402-34-4) is a chemical compound with molecular formula C23H23N3O9 and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate
Also Known As: 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate, 2-[3-ethoxycarbonylbut-2-en-2-yl-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate
| Molecular Formula | C23H23N3O9 |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 3.6592 |
| Topological Polar Surface Area | 159.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.14343 |
| Heavy Atoms | 35 |
| Complexity | 1155.7645 |
Chemical Identifiers
| CAS Number | 383402-34-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C(\C)/N(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C |
Product Overview
2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate (CAS 383402-34-4), with molecular formula C23H23N3O9 and molecular weight 485.14 g/mol. IUPAC: 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate.
Chemical Property Profile of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate
Property Insights of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate
The XLogP value of 3.6592 indicates that 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.19 Ų indicates high polarity, suggesting 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 9 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-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate?
The CAS number of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate is 383402-34-4.
What is the molecular formula of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate?
The molecular formula of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate is C23H23N3O9.
What is the molecular weight of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate?
The molecular weight of 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate is 485.14 g/mol.
Where can I buy 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate?
You can request a quote for 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.