![4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid structure](/static/products/878/878982-55-9.png)
4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid
TL;DR: 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid (CAS 878982-55-9) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid
Also Known As: 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid, (E)-4-(1-cyano-2-(2-methoxy-5-nitrophenyl)vinyl)benzoic acid, 4-[1-cyano-2-(2-methoxy-5-nitro-phenyl)ethenyl]benzoic Acid
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.36578 |
| Topological Polar Surface Area | 113.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 863.5399 |
Chemical Identifiers
| CAS Number | 878982-55-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])/C=C(/C#N)\C2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid (CAS 878982-55-9), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid.
Chemical Property Profile of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid
Property Insights of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid
The XLogP value of 3.36578 indicates that 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid 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 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid?
The CAS number of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid is 878982-55-9.
What is the molecular formula of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid?
The molecular formula of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid is C17H12N2O5.
What is the molecular weight of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid?
The molecular weight of 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid is 324.07 g/mol.
Where can I buy 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid?
You can request a quote for 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-1-cyano-2-(2-methoxy-5-nitrophenyl)ethenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.