2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
TL;DR: 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one (CAS 769142-98-5) is a chemical compound with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-bromophenyl)-5-[(2-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 2-(4-Bromophenyl)-5-(2-butoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-BR-PH)-5-(2-BUTOXYBENZYLIDENE)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONE, (5E)-2-(4-bromophenyl)-5-(2-butoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(4-bromophenyl)-5-[(2-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 649-452-6
| Molecular Formula | C21H18BrN3O2S |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 4.3071 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.0303 |
| Heavy Atoms | 28 |
| Complexity | 1214.9086 |
Chemical Identifiers
| CAS Number | 769142-98-5 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2 |
Product Overview
2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one (CAS 769142-98-5), with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol. IUPAC: (5E)-2-(4-bromophenyl)-5-[(2-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Property Insights of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
The XLogP value of 4.3071 indicates that 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one 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 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The CAS number of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is 769142-98-5.
What is the molecular formula of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The molecular formula of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is C21H18BrN3O2S.
What is the molecular weight of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The molecular weight of 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is 455.03 g/mol.
Where can I buy 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
You can request a quote for 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-BR-PH)-5-(2-Butoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.