RefChem:819908
TL;DR: RefChem:819908 (CAS 477734-72-8) is a chemical compound with molecular formula C21H19Br2N5OS and molecular weight 546.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(4-BROMOPHENYL)METHYLIDENE]-2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE, 651-072-0, N'-((E)-(4-Bromophenyl)methylidene)-2-((5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetohydrazide, N-[(1E)-2-(4-bromophenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylprop-2-e nyl)(1,2,4-triazol-3-ylthio)]acetamide, RefChem:819908
| Molecular Formula | C21H19Br2N5OS |
|---|---|
| Molecular Weight | 546.97 g/mol |
| LogP | 5.2886 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.9677 |
| Heavy Atoms | 30 |
| Complexity | 1062.0057 |
Chemical Identifiers
| CAS Number | 477734-72-8 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br |
Product Overview
RefChem:819908 (CAS 477734-72-8), with molecular formula C21H19Br2N5OS and molecular weight 546.97 g/mol. IUPAC: N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:819908
Property Insights of RefChem:819908
The XLogP value of 5.2886 indicates that RefChem:819908 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 RefChem:819908. Following Lipinski's Rule of Five, RefChem:819908 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:819908?
The CAS number of RefChem:819908 is 477734-72-8.
What is the molecular formula of RefChem:819908?
The molecular formula of RefChem:819908 is C21H19Br2N5OS.
What is the molecular weight of RefChem:819908?
The molecular weight of RefChem:819908 is 546.97 g/mol.
Where can I buy RefChem:819908?
You can request a quote for RefChem:819908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.