![7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one structure](/static/products/866/866133-86-0.png)
7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one (CAS 866133-86-0) is a chemical compound with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
Also Known As: 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one, 7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one, 7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-nitro-2-[2-(4-phenyl-1-piperazinyl)ethyl], 3-nitro-9-[2-(4-phenylpiperazin-1-yl)ethyl]-10-oxa-7-azabicyclo[4.4.0]deca-2,4,11-trien-8-one
| Molecular Formula | C20H22N4O4 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 2.5066 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1641 |
| Heavy Atoms | 28 |
| Complexity | 865.76434 |
Chemical Identifiers
| CAS Number | 866133-86-0 |
|---|---|
| SMILES | C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one (CAS 866133-86-0), with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol. IUPAC: 7-nitro-2-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.5066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one has 1 hydrogen bond donor(s) and 6 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-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one is 866133-86-0.
What is the molecular formula of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one is C20H22N4O4.
What is the molecular weight of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one is 382.16 g/mol.
Where can I buy 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 7-nitro-2-[2-(4-phenylpiperazino)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-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-2-[2-(4-phenylpiperazino)ethyl]-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.