Methyl 4,4-dinitrovalerate
TL;DR: Methyl 4,4-dinitrovalerate (CAS 6921-12-6) is a chemical compound with molecular formula C6H10N2O6 and molecular weight 206.05388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,4-dinitropentanoate
Also Known As: methyl 4,4-dinitropentanoate, Methyl 4,4-dinitrovalerate, MDNP, 4,4-dinitrovaleriansaeure-methylester, Pentanoic acid, 4,4-dinitro-, methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10N2O6 |
| Molecular Weight | 206.05388 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.05388 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XJYBIOQYCBWSAV-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4,4-dinitrovalerate
Property Insights of Methyl 4,4-dinitrovalerate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4-dinitrovalerate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,4-dinitrovalerate. Following Lipinski's Rule of Five, Methyl 4,4-dinitrovalerate 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 Methyl 4,4-dinitrovalerate?
The CAS number of Methyl 4,4-dinitrovalerate is 6921-12-6.
What is the molecular formula of Methyl 4,4-dinitrovalerate?
The molecular formula of Methyl 4,4-dinitrovalerate is C6H10N2O6.
What is the molecular weight of Methyl 4,4-dinitrovalerate?
The molecular weight of Methyl 4,4-dinitrovalerate is 206.05388 g/mol.
Where can I buy Methyl 4,4-dinitrovalerate?
You can request a quote for Methyl 4,4-dinitrovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4,4-dinitrovalerate?
Yes, CoreyChem provides custom synthesis services for Methyl 4,4-dinitrovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.