RefChem:404245
TL;DR: RefChem:404245 (CAS 606952-80-1) is a chemical compound with molecular formula C20H16BrN3O4S and molecular weight 473.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-2-(4-bromophenyl)-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-Bromophenyl)-5-(3,4,5-trimethoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(4-Bromophenyl)-5-(3,4,5-trimethoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one, (5E)-2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 645-743-7
| Molecular Formula | C20H16BrN3O4S |
|---|---|
| Molecular Weight | 473.00 g/mol |
| LogP | 3.154 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.0045 |
| Heavy Atoms | 29 |
| Complexity | 1272.9979 |
Chemical Identifiers
| CAS Number | 606952-80-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2 |
Product Overview
RefChem:404245 (CAS 606952-80-1), with molecular formula C20H16BrN3O4S and molecular weight 473.00 g/mol. IUPAC: (5E)-2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404245
Property Insights of RefChem:404245
The XLogP value of 3.154 indicates that RefChem:404245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404245. Following Lipinski's Rule of Five, RefChem:404245 has 0 hydrogen bond donor(s) and 7 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:404245?
The CAS number of RefChem:404245 is 606952-80-1.
What is the molecular formula of RefChem:404245?
The molecular formula of RefChem:404245 is C20H16BrN3O4S.
What is the molecular weight of RefChem:404245?
The molecular weight of RefChem:404245 is 473.00 g/mol.
Where can I buy RefChem:404245?
You can request a quote for RefChem:404245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.