RefChem:449448
TL;DR: RefChem:449448 (CAS 330838-34-1) is a chemical compound with molecular formula C21H19BrClN5OS and molecular weight 503.02 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)-(3-chlorophenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-chlorophenyl)methylidene]acetohydrazide, 2-((5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(3-CHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE, 2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(3-CHLOROPHENYL)METHYLIDENE]ACETOHYDRAZIDE, 651-124-2, N-[(1E)-2-(3-chlorophenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylprop-2- enyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H19BrClN5OS |
|---|---|
| Molecular Weight | 503.02 g/mol |
| LogP | 5.1795 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.01822 |
| Heavy Atoms | 30 |
| Complexity | 1081.2557 |
Chemical Identifiers
| CAS Number | 330838-34-1 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449448 (CAS 330838-34-1), with molecular formula C21H19BrClN5OS and molecular weight 503.02 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide.
Chemical Property Profile of RefChem:449448
Property Insights of RefChem:449448
The XLogP value of 5.1795 indicates that RefChem:449448 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:449448. Following Lipinski's Rule of Five, RefChem:449448 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:449448?
The CAS number of RefChem:449448 is 330838-34-1.
What is the molecular formula of RefChem:449448?
The molecular formula of RefChem:449448 is C21H19BrClN5OS.
What is the molecular weight of RefChem:449448?
The molecular weight of RefChem:449448 is 503.02 g/mol.
Where can I buy RefChem:449448?
You can request a quote for RefChem:449448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449448?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.