(E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 380458-01-5) is a chemical compound with molecular formula C21H20N6OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]AMINO}-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 4.30103 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 1218.5474 |
Chemical Identifiers
| CAS Number | 380458-01-5 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)OC |
Product Overview
(E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 380458-01-5), with molecular formula C21H20N6OS and molecular weight 404.14 g/mol. IUPAC: 4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.30103 indicates that (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 380458-01-5.
What is the molecular formula of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C21H20N6OS.
What is the molecular weight of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 404.14 g/mol.
Where can I buy (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-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 (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.