(4-Nitrophenyl)acetate
TL;DR: (4-Nitrophenyl)acetate (CAS 3545-74-2) is a chemical compound with molecular formula C8H6NO4- and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)acetate
Also Known As: (4-nitrophenyl)acetate, 4-nitrophenylacetate, P-nitrophenylacetate, 4-nitrobenzeneacetate, 2-(4-nitrophenyl)acetate
| Molecular Formula | C8H6NO4- |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | -0.1128 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.02968 |
| Heavy Atoms | 13 |
| Complexity | 330.5022 |
Chemical Identifiers
| CAS Number | 3545-74-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)[O-])[N+](=O)[O-] |
Product Overview
(4-Nitrophenyl)acetate (CAS 3545-74-2), with molecular formula C8H6NO4- and molecular weight 180.03 g/mol. IUPAC: 2-(4-nitrophenyl)acetate.
Chemical Property Profile of (4-Nitrophenyl)acetate
Property Insights of (4-Nitrophenyl)acetate
The XLogP value of -0.1128 indicates that (4-Nitrophenyl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.27 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 3545-74-2.
What is the molecular formula of (4-Nitrophenyl)acetate?
The molecular formula of (4-Nitrophenyl)acetate is C8H6NO4-.
What is the molecular weight of (4-Nitrophenyl)acetate?
The molecular weight of (4-Nitrophenyl)acetate is 180.03 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.