1-Piperazinecarboxaldehyde, N-oxide
TL;DR: 1-Piperazinecarboxaldehyde, N-oxide (CAS 61785-55-5) is a chemical compound with molecular formula C11H11N5O5 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazine-1-carbaldehyde
Also Known As: 1-Piperazinecarboxaldehyde, N-oxide, 4-(4-Formylpiperazinyl)-7-nitrobenzofuroxan, B-2748, 7-(4-Formyl-1-piperazinyl)-4-nitrobenzofurazane 1-oxide, 4-(4-Formylpiperazino)-7-nitrobenzofurazane 3-oxide
| Molecular Formula | C11H11N5O5 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.07602 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 61785-55-5 |
|---|---|
| SMILES | C1CN(CCN1C=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | RHQPZDNQNMYNFZ-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxaldehyde, N-oxide (CAS 61785-55-5), with molecular formula C11H11N5O5 and molecular weight 293.08 g/mol. IUPAC: 4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazine-1-carbaldehyde.
Chemical Property Profile of 1-Piperazinecarboxaldehyde, N-oxide
Property Insights of 1-Piperazinecarboxaldehyde, N-oxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxaldehyde, N-oxide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarboxaldehyde, N-oxide. Following Lipinski's Rule of Five, 1-Piperazinecarboxaldehyde, N-oxide has 0 hydrogen bond donor(s) and 7 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 1-Piperazinecarboxaldehyde, N-oxide?
The CAS number of 1-Piperazinecarboxaldehyde, N-oxide is 61785-55-5.
What is the molecular formula of 1-Piperazinecarboxaldehyde, N-oxide?
The molecular formula of 1-Piperazinecarboxaldehyde, N-oxide is C11H11N5O5.
What is the molecular weight of 1-Piperazinecarboxaldehyde, N-oxide?
The molecular weight of 1-Piperazinecarboxaldehyde, N-oxide is 293.08 g/mol.
Where can I buy 1-Piperazinecarboxaldehyde, N-oxide?
You can request a quote for 1-Piperazinecarboxaldehyde, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxaldehyde, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxaldehyde, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.