(3-Nitrophenyl) 2-phenylacetate
TL;DR: (3-Nitrophenyl) 2-phenylacetate (CAS 85121-10-4) 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.
(3-nitrophenyl) 2-phenylacetate
Also Known As: (3-nitrophenyl) 2-phenylacetate, 3-nitrophenyl phenylacetate, Benzeneacetic acid, 3-nitrophenyl ester, 3-NITROPHENYL 2-PHENYLACETATE, Benzeneacetic acid 3-nitrophenyl ester
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.7429 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 595.4048 |
Chemical Identifiers
| CAS Number | 85121-10-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
(3-Nitrophenyl) 2-phenylacetate (CAS 85121-10-4), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (3-nitrophenyl) 2-phenylacetate.
Chemical Property Profile of (3-Nitrophenyl) 2-phenylacetate
Property Insights of (3-Nitrophenyl) 2-phenylacetate
The XLogP value of 2.7429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl) 2-phenylacetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl) 2-phenylacetate. Following Lipinski's Rule of Five, (3-Nitrophenyl) 2-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 (3-Nitrophenyl) 2-phenylacetate?
The CAS number of (3-Nitrophenyl) 2-phenylacetate is 85121-10-4.
What is the molecular formula of (3-Nitrophenyl) 2-phenylacetate?
The molecular formula of (3-Nitrophenyl) 2-phenylacetate is C14H11NO4.
What is the molecular weight of (3-Nitrophenyl) 2-phenylacetate?
The molecular weight of (3-Nitrophenyl) 2-phenylacetate is 257.07 g/mol.
Where can I buy (3-Nitrophenyl) 2-phenylacetate?
You can request a quote for (3-Nitrophenyl) 2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl) 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl) 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.