![5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one structure](/static/products/644/64445-47-2.png)
5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one
TL;DR: 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one (CAS 64445-47-2) is a chemical compound with molecular formula C22H16N6O3 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one
Also Known As: (5E)-5-[[2-(4-nitrophenyl)hydrazinyl]-phenylmethylidene]-3-p
| Molecular Formula | C22H16N6O3 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 3.6046 |
| Topological Polar Surface Area | 126.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1284 |
| Heavy Atoms | 31 |
| Complexity | 1286.3973 |
Chemical Identifiers
| CAS Number | 64445-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)C(=N2)C(=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one (CAS 64445-47-2), with molecular formula C22H16N6O3 and molecular weight 412.13 g/mol. IUPAC: 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one.
Chemical Property Profile of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one
Property Insights of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one
The XLogP value of 3.6046 indicates that 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one. Following Lipinski's Rule of Five, 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one has 2 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 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one?
The CAS number of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one is 64445-47-2.
What is the molecular formula of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one?
The molecular formula of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one is C22H16N6O3.
What is the molecular weight of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one?
The molecular weight of 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one is 412.13 g/mol.
Where can I buy 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one?
You can request a quote for 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[N-(4-nitroanilino)-C-phenylcarbonimidoyl]-3-phenyl-1H-1,2,4-triazin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.