Methyl (2E)-3-(3-nitrophenyl)-2-propenoate
TL;DR: Methyl (2E)-3-(3-nitrophenyl)-2-propenoate (CAS 1664-59-1) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(3-nitrophenyl)prop-2-enoate
Also Known As: Methyl (E)-m-nitrocinnamate, (E)-methyl 3-(3-nitrophenyl)acrylate, methyl-3-nitrocinnamate, Methyl 3-(3-nitrophenyl)acrylate, methyl -m-nitrocinnamate
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.781 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 411.63834 |
Chemical Identifiers
| CAS Number | 1664-59-1 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Methyl (2E)-3-(3-nitrophenyl)-2-propenoate (CAS 1664-59-1), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: methyl (E)-3-(3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate
Property Insights of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate
The XLogP value of 1.781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2E)-3-(3-nitrophenyl)-2-propenoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2E)-3-(3-nitrophenyl)-2-propenoate. Following Lipinski's Rule of Five, Methyl (2E)-3-(3-nitrophenyl)-2-propenoate has 0 hydrogen bond donor(s) and 4 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 (2E)-3-(3-nitrophenyl)-2-propenoate?
The CAS number of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate is 1664-59-1.
What is the molecular formula of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate?
The molecular formula of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate is C10H9NO4.
What is the molecular weight of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate?
The molecular weight of Methyl (2E)-3-(3-nitrophenyl)-2-propenoate is 207.05 g/mol.
Where can I buy Methyl (2E)-3-(3-nitrophenyl)-2-propenoate?
You can request a quote for Methyl (2E)-3-(3-nitrophenyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2E)-3-(3-nitrophenyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2E)-3-(3-nitrophenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.