![2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone structure](/static/products/866/866149-57-7.png)
2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone
TL;DR: 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone (CAS 866149-57-7) is a chemical compound with molecular formula C26H28N4O5 and molecular weight 476.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrophenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone, 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrophenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
| Molecular Formula | C26H28N4O5 |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | 3.2813 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.20596 |
| Heavy Atoms | 35 |
| Complexity | 1196.2235 |
Chemical Identifiers
| CAS Number | 866149-57-7 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone (CAS 866149-57-7), with molecular formula C26H28N4O5 and molecular weight 476.21 g/mol. IUPAC: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrophenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone
Property Insights of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone
The XLogP value of 3.2813 indicates that 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone. Following Lipinski's Rule of Five, 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone 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 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone?
The CAS number of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone is 866149-57-7.
What is the molecular formula of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone?
The molecular formula of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone is C26H28N4O5.
What is the molecular weight of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone?
The molecular weight of 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone is 476.21 g/mol.
Where can I buy 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone?
You can request a quote for 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-5-nitrophenyl}methylene)-3-quinuclidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.