![[4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate structure](/static/products/3389/338960-81-9.webp)
[4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate
TL;DR: [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate (CAS 338960-81-9) is a chemical compound with molecular formula C21H16ClNO5 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate
Also Known As: Bionet1_002807, 5L-522S, [4-(4-methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate, 4-(4-methylphenoxy)-3-nitrobenzyl 4-chlorobenzenecarboxylate, [4-(4-methylphenoxy)-3-nitrophenyl]methyl4-chlorobenzoate
| Molecular Formula | C21H16ClNO5 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 5.70592 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0717 |
| Heavy Atoms | 28 |
| Complexity | 1000.30945 |
Chemical Identifiers
| CAS Number | 338960-81-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C(C=C(C=C2)COC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
[4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate (CAS 338960-81-9), with molecular formula C21H16ClNO5 and molecular weight 397.07 g/mol. IUPAC: [4-(4-methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate.
Chemical Property Profile of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate
Property Insights of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate
The XLogP value of 5.70592 indicates that [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate. Following Lipinski's Rule of Five, [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate 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 [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate?
The CAS number of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate is 338960-81-9.
What is the molecular formula of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate?
The molecular formula of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate is C21H16ClNO5.
What is the molecular weight of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate?
The molecular weight of [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate is 397.07 g/mol.
Where can I buy [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate?
You can request a quote for [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Methylphenoxy)-3-nitrophenyl]methyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.