6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure

6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

TL;DR: 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 54025-92-2) is a chemical compound with molecular formula C11H9BrN4S and molecular weight 307.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Also Known As: TRIAZOLOTHIADIAZINE, 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, AP-381/41035244, 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 6-(4-bromophenyl)-3-methyl-, A3056/0129115

CAS: 54025-92-2
Molecular Formula C11H9BrN4S
Molecular Weight 307.97 g/mol
LogP 2.70712
Topological Polar Surface Area 43.07 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 307.97314
Heavy Atoms 17
Complexity 588.0189

Chemical Identifiers

CAS Number 54025-92-2
SMILES CC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Br

Product Overview

6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 54025-92-2), with molecular formula C11H9BrN4S and molecular weight 307.97 g/mol. IUPAC: 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

XLogP
2.70712
TPSA (Topological Polar Surface Area)
43.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
17
Complexity
588.0189
Exact Mass
307.97314
Monoisotopic Mass
307.97314
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

The XLogP value of 2.70712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. With a topological polar surface area (TPSA) of 43.07 Ų, 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?

The CAS number of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 54025-92-2.

What is the molecular formula of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?

The molecular formula of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C11H9BrN4S.

What is the molecular weight of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?

The molecular weight of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 307.97 g/mol.

Where can I buy 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?

You can request a quote for 6-(4-bromophenyl)-3-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 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?

Yes, KEHONG BIO provides custom synthesis services for 6-(4-bromophenyl)-3-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.

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