(3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate
TL;DR: (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate (CAS 338960-78-4) is a chemical compound with molecular formula C20H14N2O7 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate
Also Known As: Bionet1_002803, (3-nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate, 5L-518S, 3-nitro-4-phenoxybenzyl 4-nitrobenzenecarboxylate, (3-nitro-4-phenoxyphenyl)methyl4-nitrobenzoate
| Molecular Formula | C20H14N2O7 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 4.6523 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.0801 |
| Heavy Atoms | 29 |
| Complexity | 1050.1847 |
Chemical Identifiers
| CAS Number | 338960-78-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate (CAS 338960-78-4), with molecular formula C20H14N2O7 and molecular weight 394.08 g/mol. IUPAC: (3-nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate
Property Insights of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate
The XLogP value of 4.6523 indicates that (3-Nitro-4-phenoxyphenyl)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 (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate?
The CAS number of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate is 338960-78-4.
What is the molecular formula of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate?
The molecular formula of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate is C20H14N2O7.
What is the molecular weight of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate?
The molecular weight of (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate is 394.08 g/mol.
Where can I buy (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate?
You can request a quote for (3-Nitro-4-phenoxyphenyl)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 (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitro-4-phenoxyphenyl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.