4-Nitrophenyl Acetate
TL;DR: 4-Nitrophenyl Acetate (CAS 830-03-5) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) acetate
Also Known As: 4-Nitrophenyl acetate, p-Acetoxynitrobenzene, p-Nitrophenol acetate, P-NITROPHENYL ACETATE, (4-nitrophenyl) acetate
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
| Vapor Pressure | 0.00186 [mmHg] |
Chemical Identifiers
| CAS Number | 830-03-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QAUUDNIGJSLPSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl Acetate (CAS 830-03-5), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: (4-nitrophenyl) acetate.
Chemical Property Profile of 4-Nitrophenyl Acetate
Property Insights of 4-Nitrophenyl Acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl Acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl Acetate. Following Lipinski's Rule of Five, 4-Nitrophenyl 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-Nitrophenyl Acetate?
The CAS number of 4-Nitrophenyl Acetate is 830-03-5.
What is the molecular formula of 4-Nitrophenyl Acetate?
The molecular formula of 4-Nitrophenyl Acetate is C8H7NO4.
What is the molecular weight of 4-Nitrophenyl Acetate?
The molecular weight of 4-Nitrophenyl Acetate is 181.04 g/mol.
Where can I buy 4-Nitrophenyl Acetate?
You can request a quote for 4-Nitrophenyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.