(2-Nitro-3-phenylprop-2-enyl) acetate
TL;DR: (2-Nitro-3-phenylprop-2-enyl) acetate (CAS 3532-57-8) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitro-3-phenylprop-2-enyl) acetate
Also Known As: [(Z)-2-nitro-3-phenyl-prop-2-enyl] acetate|2-Propen-1-ol, 2-nitro-3-phenyl-, acetate (ester)
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 3532-57-8 |
|---|---|
| SMILES | CC(=O)OCC(=CC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | ABUCXZPWLZXBBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Nitro-3-phenylprop-2-enyl) acetate (CAS 3532-57-8), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: (2-nitro-3-phenylprop-2-enyl) acetate.
Chemical Property Profile of (2-Nitro-3-phenylprop-2-enyl) acetate
Property Insights of (2-Nitro-3-phenylprop-2-enyl) acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-3-phenylprop-2-enyl) acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitro-3-phenylprop-2-enyl) acetate. Following Lipinski's Rule of Five, (2-Nitro-3-phenylprop-2-enyl) 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 (2-Nitro-3-phenylprop-2-enyl) acetate?
The CAS number of (2-Nitro-3-phenylprop-2-enyl) acetate is 3532-57-8.
What is the molecular formula of (2-Nitro-3-phenylprop-2-enyl) acetate?
The molecular formula of (2-Nitro-3-phenylprop-2-enyl) acetate is C11H11NO4.
What is the molecular weight of (2-Nitro-3-phenylprop-2-enyl) acetate?
The molecular weight of (2-Nitro-3-phenylprop-2-enyl) acetate is 221.07 g/mol.
Where can I buy (2-Nitro-3-phenylprop-2-enyl) acetate?
You can request a quote for (2-Nitro-3-phenylprop-2-enyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitro-3-phenylprop-2-enyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitro-3-phenylprop-2-enyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.