![2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one structure](/static/products/860/860611-80-9.png)
2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 860611-80-9) is a chemical compound with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-benzylpiperazin-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one, 2-[2-(4-benzylpiperazin-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one, 2-[2-(4-benzylpiperazin-1-yl)ethyl]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one, 7-nitro-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one
| Molecular Formula | C21H24N4O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 2.5022 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.17975 |
| Heavy Atoms | 29 |
| Complexity | 881.50476 |
Chemical Identifiers
| CAS Number | 860611-80-9 |
|---|---|
| SMILES | C1CN(CCN1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 860611-80-9), with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol. IUPAC: 2-[2-(4-benzylpiperazin-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.5022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-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 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 860611-80-9.
What is the molecular formula of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one is C21H24N4O4.
What is the molecular weight of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 396.18 g/mol.
Where can I buy 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-[2-(4-benzylpiperazino)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-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-benzylpiperazino)ethyl]-7-nitro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.