(E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 498570-01-7) is a chemical compound with molecular formula C16H15BrN4O3S2 and molecular weight 453.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(5-bromothiophen-2-yl)methylideneamino]-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione, 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H15BrN4O3S2 |
|---|---|
| Molecular Weight | 453.98 g/mol |
| LogP | 4.33969 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.9769 |
| Heavy Atoms | 26 |
| Complexity | 984.0863 |
Chemical Identifiers
| CAS Number | 498570-01-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br |
Product Overview
(E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 498570-01-7), with molecular formula C16H15BrN4O3S2 and molecular weight 453.98 g/mol. IUPAC: 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.33969 indicates that (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 7 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-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 498570-01-7.
What is the molecular formula of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C16H15BrN4O3S2.
What is the molecular weight of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 453.98 g/mol.
Where can I buy (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-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-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.