RefChem:404345
TL;DR: RefChem:404345 (CAS 606953-99-5) is a chemical compound with molecular formula C18H10BrCl2N3O2S and molecular weight 480.91 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-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(2,4-dichlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-(5-Bromo-2-methoxybenzylidene)-2-(2,4-dichlorophenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-(5-BROMO-2-METHOXYBENZYLIDENE)-2-(2,4-DICHLOROPHENYL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 637-714-2
| Molecular Formula | C18H10BrCl2N3O2S |
|---|---|
| Molecular Weight | 480.91 g/mol |
| LogP | 4.4436 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.90543 |
| Heavy Atoms | 27 |
| Complexity | 1285.9819 |
Chemical Identifiers
| CAS Number | 606953-99-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C=C(C=C4)Cl)Cl)S2 |
Product Overview
RefChem:404345 (CAS 606953-99-5), with molecular formula C18H10BrCl2N3O2S and molecular weight 480.91 g/mol. IUPAC: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404345
Property Insights of RefChem:404345
The XLogP value of 4.4436 indicates that RefChem:404345 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:404345 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404345 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:404345?
The CAS number of RefChem:404345 is 606953-99-5.
What is the molecular formula of RefChem:404345?
The molecular formula of RefChem:404345 is C18H10BrCl2N3O2S.
What is the molecular weight of RefChem:404345?
The molecular weight of RefChem:404345 is 480.91 g/mol.
Where can I buy RefChem:404345?
You can request a quote for RefChem:404345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404345?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.