RefChem:404241
TL;DR: RefChem:404241 (CAS 606950-26-9) is a chemical compound with molecular formula C19H14BrN3O3S and molecular weight 442.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-bromophenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-2-(4-bromophenyl)-5-(2,3-dimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, F1423-2546, (E)-2-(4-bromophenyl)-5-(2,3-dimethoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(4-bromophenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 2-(4-Bromophenyl)-5-(2,3-dimethoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C19H14BrN3O3S |
|---|---|
| Molecular Weight | 442.99 g/mol |
| LogP | 3.1454 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.99393 |
| Heavy Atoms | 27 |
| Complexity | 1231.7992 |
Chemical Identifiers
| CAS Number | 606950-26-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2 |
Product Overview
RefChem:404241 (CAS 606950-26-9), with molecular formula C19H14BrN3O3S and molecular weight 442.99 g/mol. IUPAC: (5E)-2-(4-bromophenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404241
Property Insights of RefChem:404241
The XLogP value of 3.1454 indicates that RefChem:404241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404241. Following Lipinski's Rule of Five, RefChem:404241 has 0 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:404241?
The CAS number of RefChem:404241 is 606950-26-9.
What is the molecular formula of RefChem:404241?
The molecular formula of RefChem:404241 is C19H14BrN3O3S.
What is the molecular weight of RefChem:404241?
The molecular weight of RefChem:404241 is 442.99 g/mol.
Where can I buy RefChem:404241?
You can request a quote for RefChem:404241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404241?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.