RefChem:449454
TL;DR: RefChem:449454 (CAS 477734-74-0) is a chemical compound with molecular formula C22H22BrN5OS and molecular weight 483.07 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)-(4-methylphenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(4-METHYLPHENYL)METHYLIDENE]ACETOHYDRAZIDE, 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(4-methylphenyl)methylidene)acetohydrazide, 649-980-7, N-[(1E)-2-(4-methylphenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylprop-2- enyl)(1,2,4-triazol-3-ylthio)]acetamide, RefChem:449454
| Molecular Formula | C22H22BrN5OS |
|---|---|
| Molecular Weight | 483.07 g/mol |
| LogP | 4.83452 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.07285 |
| Heavy Atoms | 30 |
| Complexity | 1058.1368 |
Chemical Identifiers
| CAS Number | 477734-74-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2CC(=C)C)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449454 (CAS 477734-74-0), with molecular formula C22H22BrN5OS and molecular weight 483.07 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449454
Property Insights of RefChem:449454
The XLogP value of 4.83452 indicates that RefChem:449454 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:449454. Following Lipinski's Rule of Five, RefChem:449454 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:449454?
The CAS number of RefChem:449454 is 477734-74-0.
What is the molecular formula of RefChem:449454?
The molecular formula of RefChem:449454 is C22H22BrN5OS.
What is the molecular weight of RefChem:449454?
The molecular weight of RefChem:449454 is 483.07 g/mol.
Where can I buy RefChem:449454?
You can request a quote for RefChem:449454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449454?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.