![2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate structure](/static/products/1008/1008593-07-4.webp)
2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
TL;DR: 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CAS 1008593-07-4) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(nitromethylidene)piperidin-3-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Also Known As: 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate, [2-(nitromethylidene)-3-piperidyl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate, [2-(nitromethylidene)piperidin-3-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate, 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 2-(nitromethylene)-3-piperidinyl ester
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 1.5216 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 642.4789 |
Chemical Identifiers
| CAS Number | 1008593-07-4 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)OC3CCCNC3=C[N+](=O)[O-])C)C |
Product Overview
2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CAS 1008593-07-4), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: [2-(nitromethylidene)piperidin-3-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Property Insights of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
The XLogP value of 1.5216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate. Following Lipinski's Rule of Five, 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate has 1 hydrogen bond donor(s) and 7 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-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The CAS number of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is 1008593-07-4.
What is the molecular formula of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The molecular formula of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is C16H22N2O6.
What is the molecular weight of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
The molecular weight of 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is 338.15 g/mol.
Where can I buy 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
You can request a quote for 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-nitromethylidene]-3-piperidinyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.