5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
TL;DR: 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one (CAS 606952-40-3) is a chemical compound with molecular formula C17H10BrN3OS and molecular weight 382.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-benzylidene-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-5-benzylidene-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-Benzylidene-2-(4-bromophenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-benzylidene-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 3-benzylidene-7-(4-bromophenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one, 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
| Molecular Formula | C17H10BrN3OS |
|---|---|
| Molecular Weight | 382.97 g/mol |
| LogP | 3.1282 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.9728 |
| Heavy Atoms | 23 |
| Complexity | 1084.7787 |
Chemical Identifiers
| CAS Number | 606952-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Br)S2 |
Product Overview
5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one (CAS 606952-40-3), with molecular formula C17H10BrN3OS and molecular weight 382.97 g/mol. IUPAC: (5E)-5-benzylidene-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Property Insights of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
The XLogP value of 3.1282 indicates that 5-Benzylidene-2-(4-bromophenyl)(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 47.26 Ų, 5-Benzylidene-2-(4-bromophenyl)(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, 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one 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 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The CAS number of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is 606952-40-3.
What is the molecular formula of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The molecular formula of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is C17H10BrN3OS.
What is the molecular weight of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
The molecular weight of 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one is 382.97 g/mol.
Where can I buy 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
You can request a quote for 5-Benzylidene-2-(4-bromophenyl)(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 5-Benzylidene-2-(4-bromophenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylidene-2-(4-bromophenyl)(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.