4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol
TL;DR: 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol (CAS 497922-07-3) is a chemical compound with molecular formula C23H20N4OS and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxyphenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(([1,1'-Biphenyl]-4-ylmethylene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 3-(3-ethoxyphenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol, (E)-4-(([1,1'-biphenyl]-4-ylmethylene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-[1,1'-biphenyl]-4-ylmethylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C23H20N4OS |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 5.55559 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.13577 |
| Heavy Atoms | 29 |
| Complexity | 1177.4907 |
Chemical Identifiers
| CAS Number | 497922-07-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol (CAS 497922-07-3), with molecular formula C23H20N4OS and molecular weight 400.14 g/mol. IUPAC: 3-(3-ethoxyphenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol
Property Insights of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol
The XLogP value of 5.55559 indicates that 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)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 55.2 Ų, 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)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-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol is 497922-07-3.
What is the molecular formula of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol is C23H20N4OS.
What is the molecular weight of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol is 400.14 g/mol.
Where can I buy 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)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-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(((1,1'-Biphenyl)-4-ylmethylene)amino)5-(3-ethoxy-PH)4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.