(2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate
TL;DR: (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate (CAS 320583-35-5) is a chemical compound with molecular formula C14H8N4O10 and molecular weight 392.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl)methyl 2,4-dinitrobenzoate
Also Known As: 2,4-bisnitrobenzyl 2,4-bisnitrobenzoate, (2,4-dinitrophenyl)methyl 2,4-dinitrobenzoate, 2,4-dinitrobenzyl 2,4-dinitrobenzoate, BAS 00232787, 2,4-Dinitro-benzoic acid 2,4-dinitro-benzyl ester
| Molecular Formula | C14H8N4O10 |
|---|---|
| Molecular Weight | 392.02 g/mol |
| LogP | 2.6764 |
| Topological Polar Surface Area | 198.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.02405 |
| Heavy Atoms | 28 |
| Complexity | 1019.17676 |
Chemical Identifiers
| CAS Number | 320583-35-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate (CAS 320583-35-5), with molecular formula C14H8N4O10 and molecular weight 392.02 g/mol. IUPAC: (2,4-dinitrophenyl)methyl 2,4-dinitrobenzoate.
Chemical Property Profile of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate
Property Insights of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate
The XLogP value of 2.6764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate. The TPSA of 198.86 Ų indicates high polarity, suggesting (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate has 0 hydrogen bond donor(s) and 10 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 2,4-dinitrobenzoate?
The CAS number of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate is 320583-35-5.
What is the molecular formula of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate?
The molecular formula of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate is C14H8N4O10.
What is the molecular weight of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate?
The molecular weight of (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate is 392.02 g/mol.
Where can I buy (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate?
You can request a quote for (2,4-Dinitrophenyl)methyl 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 (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dinitrophenyl)methyl 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.