![7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/827/827592-53-0.png)
7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine (CAS 827592-53-0) is a chemical compound with molecular formula C18H13BrF2N4O2S and molecular weight 465.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[5-[(3-bromophenoxy)methyl]furan-2-yl]methylidene]-3-(difluoromethyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine, 7-[[5-[(3-bromophenoxy)methyl]furan-2-yl]methylidene]-3-(difluoromethyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C18H13BrF2N4O2S |
|---|---|
| Molecular Weight | 465.99 g/mol |
| LogP | 5.521 |
| Topological Polar Surface Area | 65.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.99106 |
| Heavy Atoms | 28 |
| Complexity | 1077.2324 |
Chemical Identifiers
| CAS Number | 827592-53-0 |
|---|---|
| SMILES | CC1=NN2C(=NN=C2SC1=CC3=CC=C(O3)COC4=CC(=CC=C4)Br)C(F)F |
Product Overview
7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine (CAS 827592-53-0), with molecular formula C18H13BrF2N4O2S and molecular weight 465.99 g/mol. IUPAC: 7-[[5-[(3-bromophenoxy)methyl]furan-2-yl]methylidene]-3-(difluoromethyl)-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 5.521 indicates that 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine is 827592-53-0.
What is the molecular formula of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine is C18H13BrF2N4O2S.
What is the molecular weight of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine is 465.99 g/mol.
Where can I buy 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 7-[[5-[(3-Bromophenoxy)methyl]-2-furanyl]methylene]-3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.