![(7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one structure](/static/products/498/498535-80-1.png)
(7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
TL;DR: (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 498535-80-1) is a chemical compound with molecular formula C18H13BrFN3OS and molecular weight 416.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-[(3-bromophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-7-[(3-bromophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, 8-[(3-bromophenyl)methylidene]-3-(4-fluorophenyl)-7-thia-1,3,5-triazabicyclo[4.3.0]non-5-en-9-one
| Molecular Formula | C18H13BrFN3OS |
|---|---|
| Molecular Weight | 416.99 g/mol |
| LogP | 2.695 |
| Topological Polar Surface Area | 37.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.99466 |
| Heavy Atoms | 25 |
| Complexity | 1104.5852 |
Chemical Identifiers
| CAS Number | 498535-80-1 |
|---|---|
| SMILES | C1N=C2N(CN1C3=CC=C(C=C3)F)C(=O)/C(=C/C4=CC(=CC=C4)Br)/S2 |
Product Overview
(7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 498535-80-1), with molecular formula C18H13BrFN3OS and molecular weight 416.99 g/mol. IUPAC: (7Z)-7-[(3-bromophenyl)methylidene]-3-(4-fluorophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Property Insights of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
The XLogP value of 2.695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one. With a topological polar surface area (TPSA) of 37.6 Ų, (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-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 (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The CAS number of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 498535-80-1.
What is the molecular formula of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular formula of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is C18H13BrFN3OS.
What is the molecular weight of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular weight of (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 416.99 g/mol.
Where can I buy (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
You can request a quote for (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for (7Z)-7-(3-bromobenzylidene)-3-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.