(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide
TL;DR: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide (CAS 348588-30-7) is a chemical compound with molecular formula C16H14BrN5O2S and molecular weight 419.01 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)-furan-2-ylmethylideneamino]acetamide
Also Known As: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide, 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethylideneamino)acetamide, 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide, 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
| Molecular Formula | C16H14BrN5O2S |
|---|---|
| Molecular Weight | 419.01 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.00516 |
| Heavy Atoms | 25 |
| Complexity | 891.82947 |
Chemical Identifiers
| CAS Number | 348588-30-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CO2)C3=CC(=CC=C3)Br |
Product Overview
(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide (CAS 348588-30-7), with molecular formula C16H14BrN5O2S and molecular weight 419.01 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide
Property Insights of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide
The XLogP value of 3.08 indicates that (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.31 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'-(furan-2-ylmethylene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide has 1 hydrogen bond donor(s) and 6 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'-(furan-2-ylmethylene)acetohydrazide?
The CAS number of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide is 348588-30-7.
What is the molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide is C16H14BrN5O2S.
What is the molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide is 419.01 g/mol.
Where can I buy (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)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'-(furan-2-ylmethylene)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'-(furan-2-ylmethylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.