RefChem:819915
TL;DR: RefChem:819915 (CAS 303102-58-1) is a chemical compound with molecular formula C20H19BrFN5O2S and molecular weight 491.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(5-bromo-2-fluorobenzylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 683-820-7, N'-((E)-(5-Bromo-2-fluorophenyl)methylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetohydrazide, N-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-2-[4-ethyl-5-(4-methoxyphenyl)( 1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C20H19BrFN5O2S |
|---|---|
| Molecular Weight | 491.04 g/mol |
| LogP | 4.1176 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.0427 |
| Heavy Atoms | 30 |
| Complexity | 1055.8505 |
Chemical Identifiers
| CAS Number | 303102-58-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)F)C3=CC=C(C=C3)OC |
Product Overview
RefChem:819915 (CAS 303102-58-1), with molecular formula C20H19BrFN5O2S and molecular weight 491.04 g/mol. IUPAC: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:819915
Property Insights of RefChem:819915
The XLogP value of 4.1176 indicates that RefChem:819915 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:819915. Following Lipinski's Rule of Five, RefChem:819915 has 1 hydrogen bond donor(s) and 6 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:819915?
The CAS number of RefChem:819915 is 303102-58-1.
What is the molecular formula of RefChem:819915?
The molecular formula of RefChem:819915 is C20H19BrFN5O2S.
What is the molecular weight of RefChem:819915?
The molecular weight of RefChem:819915 is 491.04 g/mol.
Where can I buy RefChem:819915?
You can request a quote for RefChem:819915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819915?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.