1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)
TL;DR: 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) (CAS 4755-89-9) is a chemical compound with molecular formula C16H18N8O4S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-phenyl-1H-1,2,4-triazol-3-amine);sulfuric acid
Also Known As: 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1), 5-Phenyl-3-amino-1,2,4-triazole sulfate (2:1), 5-Phenyl-1H-1,2,4-triazol-3-amine sulfate (2:1), 5-phenyl-1h-1,2,4-triazol-3-amine sulfate(2:1), 5-phenyl-1H-1,2,4-triazol-3-amine,sulfuric acid
| Molecular Formula | C16H18N8O4S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 1.455 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.1172 |
| Heavy Atoms | 29 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 4755-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)N.C1=CC=C(C=C1)C2=NC(=NN2)N.OS(=O)(=O)O |
| InChIKey | GRMVSZWIMYLFPZ-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) (CAS 4755-89-9), with molecular formula C16H18N8O4S and molecular weight 418.12 g/mol. IUPAC: bis(5-phenyl-1H-1,2,4-triazol-3-amine);sulfuric acid.
Chemical Property Profile of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)
Property Insights of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)
The XLogP value of 1.455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1). The TPSA of 218.0 Ų indicates high polarity, suggesting 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)?
The CAS number of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) is 4755-89-9.
What is the molecular formula of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)?
The molecular formula of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) is C16H18N8O4S.
What is the molecular weight of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)?
The molecular weight of 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) is 418.12 g/mol.
Where can I buy 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)?
You can request a quote for 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazol-3-amine, 5-phenyl-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.