(2,4-Dinitrophenyl)methyl 4-nitrobenzoate
TL;DR: (2,4-Dinitrophenyl)methyl 4-nitrobenzoate (CAS 320583-29-7) is a chemical compound with molecular formula C14H9N3O8 and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl)methyl 4-nitrobenzoate
Also Known As: 2,4-bisnitrobenzyl 4-nitrobenzoate, (2,4-dinitrophenyl)methyl 4-nitrobenzoate, 2,4-dinitrobenzyl 4-nitrobenzoate, BAS 00232781, 4-Nitro-benzoic acid 2,4-dinitro-benzyl ester
| Molecular Formula | C14H9N3O8 |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 2.7682 |
| Topological Polar Surface Area | 155.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.03897 |
| Heavy Atoms | 25 |
| Complexity | 862.8806 |
Chemical Identifiers
| CAS Number | 320583-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(2,4-Dinitrophenyl)methyl 4-nitrobenzoate (CAS 320583-29-7), with molecular formula C14H9N3O8 and molecular weight 347.04 g/mol. IUPAC: (2,4-dinitrophenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate
Property Insights of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate
The XLogP value of 2.7682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dinitrophenyl)methyl 4-nitrobenzoate. The TPSA of 155.72 Ų indicates high polarity, suggesting (2,4-Dinitrophenyl)methyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4-Dinitrophenyl)methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 8 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 (2,4-Dinitrophenyl)methyl 4-nitrobenzoate?
The CAS number of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate is 320583-29-7.
What is the molecular formula of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate?
The molecular formula of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate is C14H9N3O8.
What is the molecular weight of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate?
The molecular weight of (2,4-Dinitrophenyl)methyl 4-nitrobenzoate is 347.04 g/mol.
Where can I buy (2,4-Dinitrophenyl)methyl 4-nitrobenzoate?
You can request a quote for (2,4-Dinitrophenyl)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 (2,4-Dinitrophenyl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dinitrophenyl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.