![4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488745-07-9.png)
4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 488745-07-9) is a chemical compound with molecular formula C21H14Cl2N4S and molecular weight 424.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(2,4-dichlorophenyl)-4-[(4-phenylphenyl)methylideneamino]-2H-1,2,4-triazole-3-thione, (E)-4-(([1,1'-biphenyl]-4-ylmethylene)amino)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, 3-(2,4-dichlorophenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{[(E)-[1,1'-biphenyl]-4-ylmethylidene]amino}-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C21H14Cl2N4S |
|---|---|
| Molecular Weight | 424.03 g/mol |
| LogP | 6.46369 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.03162 |
| Heavy Atoms | 28 |
| Complexity | 1195.3152 |
Chemical Identifiers
| CAS Number | 488745-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C(=NNC3=S)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 488745-07-9), with molecular formula C21H14Cl2N4S and molecular weight 424.03 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 6.46369 indicates that 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-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-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-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-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 488745-07-9.
What is the molecular formula of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is C21H14Cl2N4S.
What is the molecular weight of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 424.03 g/mol.
Where can I buy 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-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-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(biphenyl-4-ylmethylidene)amino]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.