![4-[(E)-2-Nitroethen-1-yl]phenyl acetate structure](/static/products/225/22568-50-9.png)
4-[(E)-2-Nitroethen-1-yl]phenyl acetate
TL;DR: 4-[(E)-2-Nitroethen-1-yl]phenyl acetate (CAS 22568-50-9) 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.
[4-[(E)-2-nitroethenyl]phenyl] acetate
Also Known As: 4-[(1E)-2-nitroethenyl]phenyl acetate, [4-[(E)-2-nitroethenyl]phenyl] acetate, 4-(2-NITROETHENYL)PHENYL ACETATE, Acetic acid 4-(2-nitrovinyl)phenyl ester, 4-(2-nitrovinyl)benzoic acid methyl ester
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.8593 |
| 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 | 394.38834 |
Chemical Identifiers
| CAS Number | 22568-50-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C/[N+](=O)[O-] |
Product Overview
4-[(E)-2-Nitroethen-1-yl]phenyl acetate (CAS 22568-50-9), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: [4-[(E)-2-nitroethenyl]phenyl] acetate.
Chemical Property Profile of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate
Property Insights of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate
The XLogP value of 1.8593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-2-Nitroethen-1-yl]phenyl acetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-2-Nitroethen-1-yl]phenyl acetate. Following Lipinski's Rule of Five, 4-[(E)-2-Nitroethen-1-yl]phenyl acetate 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 4-[(E)-2-Nitroethen-1-yl]phenyl acetate?
The CAS number of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate is 22568-50-9.
What is the molecular formula of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate?
The molecular formula of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate is C10H9NO4.
What is the molecular weight of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate?
The molecular weight of 4-[(E)-2-Nitroethen-1-yl]phenyl acetate is 207.05 g/mol.
Where can I buy 4-[(E)-2-Nitroethen-1-yl]phenyl acetate?
You can request a quote for 4-[(E)-2-Nitroethen-1-yl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-2-Nitroethen-1-yl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-2-Nitroethen-1-yl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.