4-Nitrophenyl phenylacetate
TL;DR: 4-Nitrophenyl phenylacetate (CAS 1223-44-5) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-phenylacetate
Also Known As: 4-nitrophenyl phenylacetate, (4-nitrophenyl) 2-phenylacetate, Phenylacetic acid, 4-nitrophenyl ester, Benzeneacetic acid, 4-nitrophenyl ester, 4-NITROPHENYL 2-PHENYLACETATE
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1223-44-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SSYHGZXPSAYXLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl phenylacetate (CAS 1223-44-5), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (4-nitrophenyl) 2-phenylacetate.
Chemical Property Profile of 4-Nitrophenyl phenylacetate
Property Insights of 4-Nitrophenyl phenylacetate
The XLogP value of 3.1 indicates that 4-Nitrophenyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl phenylacetate. Following Lipinski's Rule of Five, 4-Nitrophenyl phenylacetate 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 phenylacetate?
The CAS number of 4-Nitrophenyl phenylacetate is 1223-44-5.
What is the molecular formula of 4-Nitrophenyl phenylacetate?
The molecular formula of 4-Nitrophenyl phenylacetate is C14H11NO4.
What is the molecular weight of 4-Nitrophenyl phenylacetate?
The molecular weight of 4-Nitrophenyl phenylacetate is 257.07 g/mol.
Where can I buy 4-Nitrophenyl phenylacetate?
You can request a quote for 4-Nitrophenyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.