4-Nitrophenyl diphenylacetate
TL;DR: 4-Nitrophenyl diphenylacetate (CAS 58241-10-4) is a chemical compound with molecular formula C20H15NO4 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2,2-diphenylacetate
Also Known As: 4-nitrophenyl diphenylacetate, 4-nitrophenyl 2,2-diphenylacetate, (4-nitrophenyl) 2,2-diphenylacetate, Diphenylacetic acid 4-nitrophenyl ester, diphenyl-acetic acid-(4-nitro-phenyl ester)
| Molecular Formula | C20H15NO4 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 4.3323 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1001 |
| Heavy Atoms | 25 |
| Complexity | 821.7176 |
Chemical Identifiers
| CAS Number | 58241-10-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl diphenylacetate (CAS 58241-10-4), with molecular formula C20H15NO4 and molecular weight 333.10 g/mol. IUPAC: (4-nitrophenyl) 2,2-diphenylacetate.
Chemical Property Profile of 4-Nitrophenyl diphenylacetate
Property Insights of 4-Nitrophenyl diphenylacetate
The XLogP value of 4.3323 indicates that 4-Nitrophenyl diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl diphenylacetate. Following Lipinski's Rule of Five, 4-Nitrophenyl diphenylacetate 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 diphenylacetate?
The CAS number of 4-Nitrophenyl diphenylacetate is 58241-10-4.
What is the molecular formula of 4-Nitrophenyl diphenylacetate?
The molecular formula of 4-Nitrophenyl diphenylacetate is C20H15NO4.
What is the molecular weight of 4-Nitrophenyl diphenylacetate?
The molecular weight of 4-Nitrophenyl diphenylacetate is 333.10 g/mol.
Where can I buy 4-Nitrophenyl diphenylacetate?
You can request a quote for 4-Nitrophenyl diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.