3-Nitrobenzaldehyde azine
TL;DR: 3-Nitrobenzaldehyde azine (CAS 1567-91-5) is a chemical compound with molecular formula C14H10N4O4 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-N-[(3-nitrophenyl)methylideneamino]methanimine
Also Known As: 3-NITROBENZALDEHYDE AZINE, bis(3-nitrobenzylidene)hydrazine, 1,2-Bis(3-nitrobenzylidene)hydrazine, (E,E)-BIS[(3-NITROPHENYL)METHYLIDENE]HYDRAZINE, 1-(3-nitrophenyl)-N-[(3-nitrophenyl)methylideneamino]methanimine
| Molecular Formula | C14H10N4O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0702 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 1567-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NN=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | OFKOPKJTGHUWLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrobenzaldehyde azine (CAS 1567-91-5), with molecular formula C14H10N4O4 and molecular weight 298.07 g/mol. IUPAC: 1-(3-nitrophenyl)-N-[(3-nitrophenyl)methylideneamino]methanimine.
Chemical Property Profile of 3-Nitrobenzaldehyde azine
Property Insights of 3-Nitrobenzaldehyde azine
The XLogP value of 3.0 indicates that 3-Nitrobenzaldehyde azine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzaldehyde azine. Following Lipinski's Rule of Five, 3-Nitrobenzaldehyde azine has 0 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 3-Nitrobenzaldehyde azine?
The CAS number of 3-Nitrobenzaldehyde azine is 1567-91-5.
What is the molecular formula of 3-Nitrobenzaldehyde azine?
The molecular formula of 3-Nitrobenzaldehyde azine is C14H10N4O4.
What is the molecular weight of 3-Nitrobenzaldehyde azine?
The molecular weight of 3-Nitrobenzaldehyde azine is 298.07 g/mol.
Where can I buy 3-Nitrobenzaldehyde azine?
You can request a quote for 3-Nitrobenzaldehyde azine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzaldehyde azine?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzaldehyde azine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.