(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide
TL;DR: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide (CAS 348098-87-3) is a chemical compound with molecular formula C22H24BrN5O3S and molecular weight 517.08 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)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide, 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide, 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]acetohydrazide
| Molecular Formula | C22H24BrN5O3S |
|---|---|
| Molecular Weight | 517.08 g/mol |
| LogP | 4.2844 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.0783 |
| Heavy Atoms | 32 |
| Complexity | 1102.9204 |
Chemical Identifiers
| CAS Number | 348098-87-3 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Br)OC |
Product Overview
(E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide (CAS 348098-87-3), with molecular formula C22H24BrN5O3S and molecular weight 517.08 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide
Property Insights of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide
The XLogP value of 4.2844 indicates that (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 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'-(3-methoxy-4-propoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)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)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide is 348098-87-3.
What is the molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide is C22H24BrN5O3S.
What is the molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide is 517.08 g/mol.
Where can I buy (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-methoxy-4-propoxybenzylidene)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'-(3-methoxy-4-propoxybenzylidene)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'-(3-methoxy-4-propoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.