RefChem:404348
TL;DR: RefChem:404348 (CAS 606953-64-4) is a chemical compound with molecular formula C19H14BrN3O2S and molecular weight 427.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, F1423-2248, (E)-5-(5-bromo-2-methoxybenzylidene)-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 5-(5-Bromo-2-methoxybenzylidene)-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C19H14BrN3O2S |
|---|---|
| Molecular Weight | 427.00 g/mol |
| LogP | 3.44522 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.99902 |
| Heavy Atoms | 26 |
| Complexity | 1212.2872 |
Chemical Identifiers
| CAS Number | 606953-64-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=CC(=C4)Br)OC)/SC3=N2 |
Product Overview
RefChem:404348 (CAS 606953-64-4), with molecular formula C19H14BrN3O2S and molecular weight 427.00 g/mol. IUPAC: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404348
Property Insights of RefChem:404348
The XLogP value of 3.44522 indicates that RefChem:404348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, RefChem:404348 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404348 has 0 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:404348?
The CAS number of RefChem:404348 is 606953-64-4.
What is the molecular formula of RefChem:404348?
The molecular formula of RefChem:404348 is C19H14BrN3O2S.
What is the molecular weight of RefChem:404348?
The molecular weight of RefChem:404348 is 427.00 g/mol.
Where can I buy RefChem:404348?
You can request a quote for RefChem:404348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404348?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.