RefChem:449458
TL;DR: RefChem:449458 (CAS 330838-44-3) is a chemical compound with molecular formula C19H18BrN5O2S and molecular weight 459.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-2-furylmethylidene]acetohydrazide, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-2-furylmethylidene)acetohydrazide, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(FURAN-2-YL)METHYLIDENE]ACETOHYDRAZIDE, 649-933-0, N-((1E)-2-(2-furyl)-1-azavinyl)-2-[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)(1 ,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C19H18BrN5O2S |
|---|---|
| Molecular Weight | 459.04 g/mol |
| LogP | 4.1191 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.03647 |
| Heavy Atoms | 28 |
| Complexity | 980.435 |
Chemical Identifiers
| CAS Number | 330838-44-3 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CO2)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449458 (CAS 330838-44-3), with molecular formula C19H18BrN5O2S and molecular weight 459.04 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide.
Chemical Property Profile of RefChem:449458
Property Insights of RefChem:449458
The XLogP value of 4.1191 indicates that RefChem:449458 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 RefChem:449458. Following Lipinski's Rule of Five, RefChem:449458 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 RefChem:449458?
The CAS number of RefChem:449458 is 330838-44-3.
What is the molecular formula of RefChem:449458?
The molecular formula of RefChem:449458 is C19H18BrN5O2S.
What is the molecular weight of RefChem:449458?
The molecular weight of RefChem:449458 is 459.04 g/mol.
Where can I buy RefChem:449458?
You can request a quote for RefChem:449458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.