5-苯基-4H-1,2,4-三唑-3-胺
TL;DR: 5-苯基-4H-1,2,4-三唑-3-胺 (CAS 4922-98-9) is a chemical compound with molecular formula C8H8N4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苯基-4H-1,2,4-三唑-3-胺
5-phenyl-1H-1,2,4-triazol-3-amine
Also Known As: 5-Phenyl-1H-1,2,4-triazol-3-amine, 5-phenyl-4H-1,2,4-triazol-3-amine, 3-phenyl-1H-1,2,4-triazol-5-amine, 1H-1,2,4-Triazol-3-amine, 5-phenyl-, 3-Amino-5-phenyl-1H-1,2,4-triazole
| Molecular Formula | C8H8N4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.07489 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4922-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)N |
| InChIKey | GHUDJFJZFUVPIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-苯基-4H-1,2,4-三唑-3-胺 (CAS 4922-98-9), with molecular formula C8H8N4 and molecular weight 160.07 g/mol. IUPAC: 5-phenyl-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-苯基-4H-1,2,4-三唑-3-胺
Property Insights of 5-苯基-4H-1,2,4-三唑-3-胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-苯基-4H-1,2,4-三唑-3-胺. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-苯基-4H-1,2,4-三唑-3-胺. Following Lipinski's Rule of Five, 5-苯基-4H-1,2,4-三唑-3-胺 has 2 hydrogen bond donor(s) and 3 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-苯基-4H-1,2,4-三唑-3-胺?
The CAS number of 5-苯基-4H-1,2,4-三唑-3-胺 is 4922-98-9.
What is the molecular formula of 5-苯基-4H-1,2,4-三唑-3-胺?
The molecular formula of 5-苯基-4H-1,2,4-三唑-3-胺 is C8H8N4.
What is the molecular weight of 5-苯基-4H-1,2,4-三唑-3-胺?
The molecular weight of 5-苯基-4H-1,2,4-三唑-3-胺 is 160.07 g/mol.
Where can I buy 5-苯基-4H-1,2,4-三唑-3-胺?
You can request a quote for 5-苯基-4H-1,2,4-三唑-3-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苯基-4H-1,2,4-三唑-3-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-苯基-4H-1,2,4-三唑-3-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.