![methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate structure](/static/products/5246/524686-61-1.webp)
methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate
TL;DR: methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate (CAS 524686-61-1) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 2-(3-(2-nitrophenyl)acrylamido)benzoate, methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate, methyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate, methyl 2-{[(2E)-3-(2-nitrophenyl)prop-2-enoyl]amino}benzoate, METHYL 2-{[(E)-3-(2-NITROPHENYL)-2-PROPENOYL]AMINO}BENZOATE
| Molecular Formula | C17H14N2O5 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 3.0333 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.09027 |
| Heavy Atoms | 24 |
| Complexity | 814.1331 |
Chemical Identifiers
| CAS Number | 524686-61-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate (CAS 524686-61-1), with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol. IUPAC: methyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate
Property Insights of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate
The XLogP value of 3.0333 indicates that methyl 2-[(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 methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate. Following Lipinski's Rule of Five, methyl 2-[(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 methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
The CAS number of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate is 524686-61-1.
What is the molecular formula of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
The molecular formula of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate is C17H14N2O5.
What is the molecular weight of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
The molecular weight of methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate is 326.09 g/mol.
Where can I buy methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
You can request a quote for methyl 2-[(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 methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2E)-3-(2-nitrophenyl)prop-2-enoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.