RefChem:449461
TL;DR: RefChem:449461 (CAS 477734-75-1) is a chemical compound with molecular formula C21H20BrN5OS and molecular weight 469.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-benzylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: Salor-int l249696-1ea, 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-phenylmethylidene)acetohydrazide, 651-125-8, N-((1E)-2-phenyl-1-azavinyl)-2-[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H20BrN5OS |
|---|---|
| Molecular Weight | 469.06 g/mol |
| LogP | 4.5261 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.0572 |
| Heavy Atoms | 29 |
| Complexity | 1015.31055 |
Chemical Identifiers
| CAS Number | 477734-75-1 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449461 (CAS 477734-75-1), with molecular formula C21H20BrN5OS and molecular weight 469.06 g/mol. IUPAC: N-[(E)-benzylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:449461
Property Insights of RefChem:449461
The XLogP value of 4.5261 indicates that RefChem:449461 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:449461. Following Lipinski's Rule of Five, RefChem:449461 has 1 hydrogen bond donor(s) and 5 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:449461?
The CAS number of RefChem:449461 is 477734-75-1.
What is the molecular formula of RefChem:449461?
The molecular formula of RefChem:449461 is C21H20BrN5OS.
What is the molecular weight of RefChem:449461?
The molecular weight of RefChem:449461 is 469.06 g/mol.
Where can I buy RefChem:449461?
You can request a quote for RefChem:449461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.