(E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 612827-75-5) is a chemical compound with molecular formula C22H18BrN5O2S2 and molecular weight 527.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-2-[4-(4-methoxyphenyl)-5-phenyl(1,2 ,4-triazol-3-ylthio)]acetamide, N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H18BrN5O2S2 |
|---|---|
| Molecular Weight | 527.01 g/mol |
| LogP | 5.0093 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.00854 |
| Heavy Atoms | 32 |
| Complexity | 1222.8693 |
Chemical Identifiers
| CAS Number | 612827-75-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(S3)Br)C4=CC=CC=C4 |
Product Overview
(E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 612827-75-5), with molecular formula C22H18BrN5O2S2 and molecular weight 527.01 g/mol. IUPAC: N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 5.0093 indicates that (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 612827-75-5.
What is the molecular formula of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C22H18BrN5O2S2.
What is the molecular weight of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 527.01 g/mol.
Where can I buy (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-((5-bromothiophen-2-yl)methylene)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.