RefChem:404347
TL;DR: RefChem:404347 (CAS 606953-73-5) is a chemical compound with molecular formula C20H16BrN3O3S and molecular weight 457.01 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-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-(5-bromo-2-methoxybenzylidene)-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-(5-Bromo-2-methoxybenzylidene)-2-(4-ethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-(5-BROMO-2-METHOXYBENZYLIDENE)-2-(4-ETHOXYPHENYL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 637-724-7
| Molecular Formula | C20H16BrN3O3S |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | 3.5355 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.00958 |
| Heavy Atoms | 28 |
| Complexity | 1248.421 |
Chemical Identifiers
| CAS Number | 606953-73-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=CC(=C4)Br)OC)/SC3=N2 |
Product Overview
RefChem:404347 (CAS 606953-73-5), with molecular formula C20H16BrN3O3S and molecular weight 457.01 g/mol. IUPAC: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of RefChem:404347
Property Insights of RefChem:404347
The XLogP value of 3.5355 indicates that RefChem:404347 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:404347. Following Lipinski's Rule of Five, RefChem:404347 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:404347?
The CAS number of RefChem:404347 is 606953-73-5.
What is the molecular formula of RefChem:404347?
The molecular formula of RefChem:404347 is C20H16BrN3O3S.
What is the molecular weight of RefChem:404347?
The molecular weight of RefChem:404347 is 457.01 g/mol.
Where can I buy RefChem:404347?
You can request a quote for RefChem:404347 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404347?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.