Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate
TL;DR: Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate (CAS 23305-76-2) is a chemical compound with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate
Also Known As: Dimethyl-4,4'-dinitrodiphenat, methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate, 4,4'-dinitrodiphenic acid dimethyl ester, dimethyl 4,4'-dinitro-[1,1'-biphenyl]-2,2'-dicarboxylate, J3.222.612D
| Molecular Formula | C16H12N2O8 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.05936 |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 23305-76-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | DGANXQLLXWERMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate (CAS 23305-76-2), with molecular formula C16H12N2O8 and molecular weight 360.06 g/mol. IUPAC: methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate
Property Insights of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate. The TPSA of 144.0 Ų indicates high polarity, suggesting Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-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 Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate?
The CAS number of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate is 23305-76-2.
What is the molecular formula of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate?
The molecular formula of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate is C16H12N2O8.
What is the molecular weight of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate?
The molecular weight of Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate is 360.06 g/mol.
Where can I buy Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate?
You can request a quote for Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.