1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate
TL;DR: 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate (CAS 69226-79-5) is a chemical compound with molecular formula C16H18N8O and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-(1H-1,2,4-triazol-5-yl)aniline);hydrate
Also Known As: C8H8N4.1/2H2O, 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate, 5-(p-Aminophenyl)-1H-1,2,4-triazole, hemihydrate, C8-H8-N4.1/2H2-O, Aniline, 4-(1H-1,2,4-triazol-5-yl)-, hemihydrate
| Molecular Formula | C16H18N8O |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 1.2831 |
| Topological Polar Surface Area | 166.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.16037 |
| Heavy Atoms | 25 |
| Complexity | 779.9207 |
Chemical Identifiers
| CAS Number | 69226-79-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=NN2)N.C1=CC(=CC=C1C2=NC=NN2)N.O |
Product Overview
1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate (CAS 69226-79-5), with molecular formula C16H18N8O and molecular weight 338.16 g/mol. IUPAC: bis(4-(1H-1,2,4-triazol-5-yl)aniline);hydrate.
Chemical Property Profile of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate
Property Insights of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate
The XLogP value of 1.2831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate. The TPSA of 166.68 Ų indicates high polarity, suggesting 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate has 4 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 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate?
The CAS number of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate is 69226-79-5.
What is the molecular formula of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate?
The molecular formula of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate is C16H18N8O.
What is the molecular weight of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate?
The molecular weight of 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate is 338.16 g/mol.
Where can I buy 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate?
You can request a quote for 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate 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-Triazole, 5-(p-aminophenyl)-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 5-(p-aminophenyl)-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.