![ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate structure](/static/products/5246/524686-67-7.webp)
ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate
TL;DR: ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate (CAS 524686-67-7) 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-(2-nitrophenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-ethyl 3-(3-(2-nitrophenyl)acrylamido)benzoate, ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate, ethyl 3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate, ethyl 3-{[(2E)-3-(2-nitrophenyl)prop-2-enoyl]amino}benzoate, ETHYL 3-{[(E)-3-(2-NITROPHENYL)-2-PROPENOYL]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 | 829.72107 |
Chemical Identifiers
| CAS Number | 524686-67-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate (CAS 524686-67-7), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: ethyl 3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate
Property Insights of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate
The XLogP value of 3.4234 indicates that ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]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-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate. Following Lipinski's Rule of Five, ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]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-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
The CAS number of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate is 524686-67-7.
What is the molecular formula of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
The molecular formula of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate is C18H16N2O5.
What is the molecular weight of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
The molecular weight of ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate is 340.11 g/mol.
Where can I buy ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
You can request a quote for ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]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-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.