2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate
TL;DR: 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate (CAS 313509-28-3) is a chemical compound with molecular formula C28H21NO5 and molecular weight 451.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2,2,2-triphenylacetate
Also Known As: 2-{4-Nitrophenyl}, 2-{4-nitrophenyl}-2-oxoethyl triphenylacetate, [2-(4-nitrophenyl)-2-oxoethyl] 2,2,2-triphenylacetate, 2-(4-nitrophenyl)-2-oxoethyl 2,2,2-triphenylacetate
| Molecular Formula | C28H21NO5 |
|---|---|
| Molecular Weight | 451.14 g/mol |
| LogP | 5.3553 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.14197 |
| Heavy Atoms | 34 |
| Complexity | 1190.5707 |
Chemical Identifiers
| CAS Number | 313509-28-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate (CAS 313509-28-3), with molecular formula C28H21NO5 and molecular weight 451.14 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2,2,2-triphenylacetate.
Chemical Property Profile of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate
Property Insights of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate
The XLogP value of 5.3553 indicates that 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate. Following Lipinski's Rule of Five, 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate?
The CAS number of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate is 313509-28-3.
What is the molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate?
The molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate is C28H21NO5.
What is the molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate?
The molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate is 451.14 g/mol.
Where can I buy 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate?
You can request a quote for 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-Nitrophenyl}-2-oxoethyl triphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.