4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide
TL;DR: 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide (CAS 63479-77-6) is a chemical compound with molecular formula C9H9N7O4S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-hydroxy-5-imino-4-[(4-nitrophenyl)hydrazinylidene]-1-oxo-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine
Also Known As: 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide, (4E)-1-hydroxy-5-imino-4-[(4-nitrophenyl)hydrazinylidene]-1-oxo-1, 4-[(E)-(4-Nitrophenyl)diazenyl]-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide, 1-hydroxy-4-[(E)-(4-nitrophenyl)azo]-1-oxo-1$l^{6}-thia-2,6-diazacyclohexa-1,3,5-triene-3,5-diamine
| Molecular Formula | C9H9N7O4S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 0.56677 |
| Topological Polar Surface Area | 179.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.04367 |
| Heavy Atoms | 21 |
| Complexity | 788.81915 |
Chemical Identifiers
| CAS Number | 63479-77-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N/N=C/2\C(=NS(=NC2=N)(=O)O)N)[N+](=O)[O-] |
Product Overview
4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide (CAS 63479-77-6), with molecular formula C9H9N7O4S and molecular weight 311.04 g/mol. IUPAC: (4E)-1-hydroxy-5-imino-4-[(4-nitrophenyl)hydrazinylidene]-1-oxo-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine.
Chemical Property Profile of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide
Property Insights of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide
The XLogP value of 0.56677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide. The TPSA of 179.42 Ų indicates high polarity, suggesting 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide has 4 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 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide?
The CAS number of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide is 63479-77-6.
What is the molecular formula of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide?
The molecular formula of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide is C9H9N7O4S.
What is the molecular weight of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide?
The molecular weight of 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide is 311.04 g/mol.
Where can I buy 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide?
You can request a quote for 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-(4-Nitrophenyl)diazenyl)-2H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.