ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
TL;DR: ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate (CAS 917591-31-2) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
Also Known As: Ethyl 3-(4-hydroxy-3-nitrophenyl)acrylate, ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate, ethyl (E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate, ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)acrylate, A4073/0173529
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.8767 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 466.92963 |
Chemical Identifiers
| CAS Number | 917591-31-2 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC(=C(C=C1)O)[N+](=O)[O-] |
Product Overview
ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate (CAS 917591-31-2), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: ethyl (E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
Property Insights of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
The XLogP value of 1.8767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate 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 (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate?
The CAS number of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate is 917591-31-2.
What is the molecular formula of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate?
The molecular formula of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate is C11H11NO5.
What is the molecular weight of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate?
The molecular weight of ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate is 237.06 g/mol.
Where can I buy ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate?
You can request a quote for ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.