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Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate
TL;DR: Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate (CAS 1164464-59-8) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-ethyl 3-(3-(4-nitrophenyl)acrylamido)benzoate, ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate, ethyl 3-[(2E)-3-(4-nitrophenyl)prop-2-enoylamino]benzoate, ethyl 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate, ethyl 3-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 3.4234 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 812.47107 |
Chemical Identifiers
| CAS Number | 1164464-59-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate (CAS 1164464-59-8), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: ethyl 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate
Property Insights of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate
The XLogP value of 3.4234 indicates that Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate?
The CAS number of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate is 1164464-59-8.
What is the molecular formula of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate?
The molecular formula of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate is C18H16N2O5.
What is the molecular weight of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate?
The molecular weight of Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate is 340.11 g/mol.
Where can I buy Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate?
You can request a quote for Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{[3-(4-nitrophenyl)acryloyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.