![2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one structure](/static/products/866/866039-66-9.png)
2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 866039-66-9) is a chemical compound with molecular formula C22H24N4O6 and molecular weight 440.17 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]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one, 5W-0234, 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one, 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
| Molecular Formula | C22H24N4O6 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 2.2309 |
| Topological Polar Surface Area | 106.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1696 |
| Heavy Atoms | 32 |
| Complexity | 1037.0763 |
Chemical Identifiers
| CAS Number | 866039-66-9 |
|---|---|
| SMILES | C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5 |
Product Overview
2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 866039-66-9), with molecular formula C22H24N4O6 and molecular weight 440.17 g/mol. IUPAC: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.2309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 106.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one has 1 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]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 866039-66-9.
What is the molecular formula of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one is C22H24N4O6.
What is the molecular weight of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 440.17 g/mol.
Where can I buy 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one 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]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.