Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate
TL;DR: Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate (CAS 54827-84-8) is a chemical compound with molecular formula C11H15N5O11 and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate
Also Known As: methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate, Methyl 5-(5,5-dinitro-2-oxo-1-piperidyl)-4,4-dinitro-pentanoate
| Molecular Formula | C11H15N5O11 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | -0.9386 |
| Topological Polar Surface Area | 219.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.0768 |
| Heavy Atoms | 27 |
| Complexity | 664.1906 |
Chemical Identifiers
| CAS Number | 54827-84-8 |
|---|---|
| SMILES | COC(=O)CCC(CN1CC(CCC1=O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate (CAS 54827-84-8), with molecular formula C11H15N5O11 and molecular weight 393.08 g/mol. IUPAC: methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate.
Chemical Property Profile of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate
Property Insights of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate
The XLogP value of -0.9386 indicates that Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.17 Ų indicates high polarity, suggesting Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate?
The CAS number of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate is 54827-84-8.
What is the molecular formula of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate?
The molecular formula of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate is C11H15N5O11.
What is the molecular weight of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate?
The molecular weight of Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate is 393.08 g/mol.
Where can I buy Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate?
You can request a quote for Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(5,5-dinitro-2-oxopiperidin-1-yl)-4,4-dinitropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.