RefChem:819936
TL;DR: RefChem:819936 (CAS 477734-77-3) is a chemical compound with molecular formula C29H24BrN5OS and molecular weight 569.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-anthracen-9-ylmethylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-9-anthrylmethylidene]-2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(anthracen-9-ylmethylene)-2-((5-(4-bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 651-135-2, N'-((E)-9-Anthrylmethylidene)-2-((5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetohydrazide, N'-[(E)-anthracen-9-ylmethylidene]-2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
| Molecular Formula | C29H24BrN5OS |
|---|---|
| Molecular Weight | 569.09 g/mol |
| LogP | 6.8325 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 569.0885 |
| Heavy Atoms | 37 |
| Complexity | 1588.0889 |
Chemical Identifiers
| CAS Number | 477734-77-3 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42)C5=CC=C(C=C5)Br |
Product Overview
RefChem:819936 (CAS 477734-77-3), with molecular formula C29H24BrN5OS and molecular weight 569.09 g/mol. IUPAC: N-[(E)-anthracen-9-ylmethylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:819936
Property Insights of RefChem:819936
The XLogP value of 6.8325 indicates that RefChem:819936 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:819936. Following Lipinski's Rule of Five, RefChem:819936 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:819936?
The CAS number of RefChem:819936 is 477734-77-3.
What is the molecular formula of RefChem:819936?
The molecular formula of RefChem:819936 is C29H24BrN5OS.
What is the molecular weight of RefChem:819936?
The molecular weight of RefChem:819936 is 569.09 g/mol.
Where can I buy RefChem:819936?
You can request a quote for RefChem:819936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819936?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.