3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone
TL;DR: 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone (CAS 664310-14-9) is a chemical compound with molecular formula C22H17N9O4 and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-nitrophenyl)-2-N-[(E)-(3-nitrophenyl)methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
Also Known As: 3-nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone, 4-N-(4-nitrophenyl)-2-N-[(E)-(3-nitrophenyl)methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
| Molecular Formula | C22H17N9O4 |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 4.6212 |
| Topological Polar Surface Area | 173.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.14035 |
| Heavy Atoms | 35 |
| Complexity | 1379.5823 |
Chemical Identifiers
| CAS Number | 664310-14-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone (CAS 664310-14-9), with molecular formula C22H17N9O4 and molecular weight 471.14 g/mol. IUPAC: 4-N-(4-nitrophenyl)-2-N-[(E)-(3-nitrophenyl)methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
Chemical Property Profile of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone
Property Insights of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone
The XLogP value of 4.6212 indicates that 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.4 Ų indicates high polarity, suggesting 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone?
The CAS number of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone is 664310-14-9.
What is the molecular formula of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone?
The molecular formula of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone is C22H17N9O4.
What is the molecular weight of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone?
The molecular weight of 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone is 471.14 g/mol.
Where can I buy 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone?
You can request a quote for 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzaldehyde (4-anilino-6-{4-nitroanilino}-1,3,5-triazin-2-yl)hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.