1-(Methoxycarbonyl)-2,4-dinitrobenzene
TL;DR: 1-(Methoxycarbonyl)-2,4-dinitrobenzene (CAS 18959-17-6) is a chemical compound with molecular formula C8H6N2O6 and molecular weight 226.02258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,4-dinitrobenzoate
Also Known As: Methyl 2,4-dinitrobenzoate, GLYCINEANHYDRIDE, Methyl3,5-dinitrobenzoate, Benzoic acid, 2,4-dinitro-, methyl ester, 2,4-Dinitro-benzoicacidmethylester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6N2O6 |
| Molecular Weight | 226.02258 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.02258 Da |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
| SMILES | COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WEUVWLHWKLGWBJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Methoxycarbonyl)-2,4-dinitrobenzene
Property Insights of 1-(Methoxycarbonyl)-2,4-dinitrobenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methoxycarbonyl)-2,4-dinitrobenzene. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methoxycarbonyl)-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-(Methoxycarbonyl)-2,4-dinitrobenzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Methoxycarbonyl)-2,4-dinitrobenzene?
The CAS number of 1-(Methoxycarbonyl)-2,4-dinitrobenzene is 18959-17-6.
What is the molecular formula of 1-(Methoxycarbonyl)-2,4-dinitrobenzene?
The molecular formula of 1-(Methoxycarbonyl)-2,4-dinitrobenzene is C8H6N2O6.
What is the molecular weight of 1-(Methoxycarbonyl)-2,4-dinitrobenzene?
The molecular weight of 1-(Methoxycarbonyl)-2,4-dinitrobenzene is 226.02258 g/mol.
Where can I buy 1-(Methoxycarbonyl)-2,4-dinitrobenzene?
You can request a quote for 1-(Methoxycarbonyl)-2,4-dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Methoxycarbonyl)-2,4-dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(Methoxycarbonyl)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.