![2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide structure](/static/products/488/488130-72-9.png)
2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
TL;DR: 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide (CAS 488130-72-9) is a chemical compound with molecular formula C22H19BrN6OS and molecular weight 494.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide, (E)-2-((4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide, 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide, N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-[4-(4-bromophenyl)-5-phenyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H19BrN6OS |
|---|---|
| Molecular Weight | 494.05 g/mol |
| LogP | 4.2777 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.05243 |
| Heavy Atoms | 31 |
| Complexity | 1200.4865 |
Chemical Identifiers
| CAS Number | 488130-72-9 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide (CAS 488130-72-9), with molecular formula C22H19BrN6OS and molecular weight 494.05 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
Chemical Property Profile of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Property Insights of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
The XLogP value of 4.2777 indicates that 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide 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 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide?
The CAS number of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide is 488130-72-9.
What is the molecular formula of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide?
The molecular formula of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide is C22H19BrN6OS.
What is the molecular weight of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide?
The molecular weight of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide is 494.05 g/mol.
Where can I buy 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide?
You can request a quote for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.