![7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one structure](/static/products/866/866137-64-6.png)
7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one (CAS 866137-64-6) is a chemical compound with molecular formula C20H21N5O6 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
Also Known As: 8W-0203, 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one, 7-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one, 7-nitro-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
| Molecular Formula | C20H21N5O6 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 2.4148 |
| Topological Polar Surface Area | 131.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.14917 |
| Heavy Atoms | 31 |
| Complexity | 1003.62006 |
Chemical Identifiers
| CAS Number | 866137-64-6 |
|---|---|
| SMILES | C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one (CAS 866137-64-6), with molecular formula C20H21N5O6 and molecular weight 427.15 g/mol. IUPAC: 7-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.4148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 131.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-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 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one is 866137-64-6.
What is the molecular formula of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one is C20H21N5O6.
What is the molecular weight of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one is 427.15 g/mol.
Where can I buy 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-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 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-2-{2-[4-(4-nitrophenyl)piperazino]ethyl}-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.