![[4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate structure](/static/products/3389/338960-80-8.webp)
[4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
TL;DR: [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate (CAS 338960-80-8) is a chemical compound with molecular formula C20H13ClN2O7 and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
Also Known As: [4-(4-chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate, 5L-520S, 4-(4-chlorophenoxy)-3-nitrobenzyl 4-nitrobenzenecarboxylate, [4-(4-chlorophenoxy)-3-nitro-phenyl]methyl 4-nitrobenzoate, [4-(4-chlorophenoxy)-3-nitrophenyl]methyl4-nitrobenzoate
| Molecular Formula | C20H13ClN2O7 |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 5.3057 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.04114 |
| Heavy Atoms | 30 |
| Complexity | 1099.1428 |
Chemical Identifiers
| CAS Number | 338960-80-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
[4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate (CAS 338960-80-8), with molecular formula C20H13ClN2O7 and molecular weight 428.04 g/mol. IUPAC: [4-(4-chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate.
Chemical Property Profile of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
Property Insights of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate
The XLogP value of 5.3057 indicates that [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate?
The CAS number of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate is 338960-80-8.
What is the molecular formula of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate?
The molecular formula of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate is C20H13ClN2O7.
What is the molecular weight of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate?
The molecular weight of [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate is 428.04 g/mol.
Where can I buy [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate?
You can request a quote for [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Chlorophenoxy)-3-nitrophenyl]methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.