![4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/497/497078-72-5.png)
4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 497078-72-5) is a chemical compound with molecular formula C21H16N4S and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, (E)-4-(([1,1'-biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 3-phenyl-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-(((1,1'-BIPHENYL)-4-YLMETHYLENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H16N4S |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 5.15689 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.10956 |
| Heavy Atoms | 26 |
| Complexity | 1078.3314 |
Chemical Identifiers
| CAS Number | 497078-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4 |
Product Overview
4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 497078-72-5), with molecular formula C21H16N4S and molecular weight 356.11 g/mol. IUPAC: 3-phenyl-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.15689 indicates that 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 497078-72-5.
What is the molecular formula of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C21H16N4S.
What is the molecular weight of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 356.11 g/mol.
Where can I buy 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.