RefChem:449444
TL;DR: RefChem:449444 (CAS 477734-79-5) is a chemical compound with molecular formula C21H18BrCl2N5OS and molecular weight 536.98 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)-(2,4-dichlorophenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]acetohydrazide, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(2,4-dichlorophenyl)methylidene)acetohydrazide, 651-111-1, N-[(1E)-2-(2,4-dichlorophenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylpro p-2-enyl)(1,2,4-triazol-3-ylthio)]acetamide, RefChem:449444
| Molecular Formula | C21H18BrCl2N5OS |
|---|---|
| Molecular Weight | 536.98 g/mol |
| LogP | 5.8329 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.97925 |
| Heavy Atoms | 31 |
| Complexity | 1131.2988 |
Chemical Identifiers
| CAS Number | 477734-79-5 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449444 (CAS 477734-79-5), with molecular formula C21H18BrCl2N5OS and molecular weight 536.98 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449444
Property Insights of RefChem:449444
The XLogP value of 5.8329 indicates that RefChem:449444 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:449444. Following Lipinski's Rule of Five, RefChem:449444 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:449444?
The CAS number of RefChem:449444 is 477734-79-5.
What is the molecular formula of RefChem:449444?
The molecular formula of RefChem:449444 is C21H18BrCl2N5OS.
What is the molecular weight of RefChem:449444?
The molecular weight of RefChem:449444 is 536.98 g/mol.
Where can I buy RefChem:449444?
You can request a quote for RefChem:449444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.