RefChem:404326
TL;DR: RefChem:404326 (CAS 606959-22-2) is a chemical compound with molecular formula C21H16BrN3O3S and molecular weight 469.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-[4-(allyloxy)-3-methoxybenzylidene]-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-(4-(Allyloxy)-3-methoxybenzylidene)-2-(4-bromophenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5E)-2-(4-bromophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-(4-(ALLYLOXY)-3-METHOXYBENZYLIDENE)-2-(4-BROMOPHENYL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE
| Molecular Formula | C21H16BrN3O3S |
|---|---|
| Molecular Weight | 469.01 g/mol |
| LogP | 3.7016 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.00958 |
| Heavy Atoms | 29 |
| Complexity | 1295.4478 |
Chemical Identifiers
| CAS Number | 606959-22-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)OCC=C |
Product Overview
RefChem:404326 (CAS 606959-22-2), with molecular formula C21H16BrN3O3S and molecular weight 469.01 g/mol. IUPAC: (5E)-2-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404326
Property Insights of RefChem:404326
The XLogP value of 3.7016 indicates that RefChem:404326 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:404326. Following Lipinski's Rule of Five, RefChem:404326 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:404326?
The CAS number of RefChem:404326 is 606959-22-2.
What is the molecular formula of RefChem:404326?
The molecular formula of RefChem:404326 is C21H16BrN3O3S.
What is the molecular weight of RefChem:404326?
The molecular weight of RefChem:404326 is 469.01 g/mol.
Where can I buy RefChem:404326?
You can request a quote for RefChem:404326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404326?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.