(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
TL;DR: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide (CAS 348099-07-0) is a chemical compound with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutan-2-ylideneamino]acetamide
Also Known As: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide, 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutan-2-ylideneamino]acetamide, 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E)-1-phenylbutan-2-ylidene]acetohydrazide
| Molecular Formula | C21H22BrN5OS |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 4.4616 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.07285 |
| Heavy Atoms | 29 |
| Complexity | 1003.31586 |
Chemical Identifiers
| CAS Number | 348099-07-0 |
|---|---|
| SMILES | CC/C(=N\NC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)Br)/CC3=CC=CC=C3 |
Product Overview
(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide (CAS 348099-07-0), with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutan-2-ylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
Property Insights of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
The XLogP value of 4.4616 indicates that (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)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 (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is 348099-07-0.
What is the molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is C21H22BrN5OS.
What is the molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is 471.07 g/mol.
Where can I buy (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.