(4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate
TL;DR: (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate (CAS 5734-53-2) 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.
(4-phenylmethoxyphenyl) 2,4-dinitrobenzoate
Also Known As: 4-(benzyloxy)phenyl 2,4-dinitrobenzoate, (4-phenylmethoxyphenyl) 2,4-dinitrobenzoate, BAS 00121099, 4-(phenylmethoxy)phenyl 2,4-dinitrobenzoate, 2,4-Dinitro-benzoic acid 4-benzyloxy-phenyl ester
| Molecular Formula | C20H14N2O7 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 4.3012 |
| 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 | 5734-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate (CAS 5734-53-2), with molecular formula C20H14N2O7 and molecular weight 394.08 g/mol. IUPAC: (4-phenylmethoxyphenyl) 2,4-dinitrobenzoate.
Chemical Property Profile of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate
Property Insights of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate
The XLogP value of 4.3012 indicates that (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate 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-Phenylmethoxyphenyl) 2,4-dinitrobenzoate. Following Lipinski's Rule of Five, (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate 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 (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate?
The CAS number of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate is 5734-53-2.
What is the molecular formula of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate?
The molecular formula of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate is C20H14N2O7.
What is the molecular weight of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate?
The molecular weight of (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate is 394.08 g/mol.
Where can I buy (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate?
You can request a quote for (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Phenylmethoxyphenyl) 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.