RefChem:404521
TL;DR: RefChem:404521 (CAS 606956-89-2) is a chemical compound with molecular formula C17H8BrCl2N3OS and molecular weight 450.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-2-(4-bromophenyl)-5-(2,6-dichlorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-Bromophenyl)-5-(2,6-dichlorobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-2-(4-BROMOPHENYL)-5-(2,6-DICHLOROBENZYLIDENE)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, 2-(4-bromophenyl)-5-(2,6-dichlorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C17H8BrCl2N3OS |
|---|---|
| Molecular Weight | 450.89 g/mol |
| LogP | 4.435 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.89484 |
| Heavy Atoms | 25 |
| Complexity | 1181.0793 |
Chemical Identifiers
| CAS Number | 606956-89-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2)Cl |
Product Overview
RefChem:404521 (CAS 606956-89-2), with molecular formula C17H8BrCl2N3OS and molecular weight 450.89 g/mol. IUPAC: (5Z)-2-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404521
Property Insights of RefChem:404521
The XLogP value of 4.435 indicates that RefChem:404521 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, RefChem:404521 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404521 has 0 hydrogen bond donor(s) and 4 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:404521?
The CAS number of RefChem:404521 is 606956-89-2.
What is the molecular formula of RefChem:404521?
The molecular formula of RefChem:404521 is C17H8BrCl2N3OS.
What is the molecular weight of RefChem:404521?
The molecular weight of RefChem:404521 is 450.89 g/mol.
Where can I buy RefChem:404521?
You can request a quote for RefChem:404521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404521?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.