![2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid structure](/static/products/1265/126598-26-3.webp)
2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
TL;DR: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid (CAS 126598-26-3) is a chemical compound with molecular formula C19H13BrN4O4S and molecular weight 471.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
Also Known As: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid, 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-, 2-(3-(Benzo[d][1,3]dioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)acetic acid, 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-7-aceticacid, 3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-, [3-(2H-1,3-Benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
| Molecular Formula | C19H13BrN4O4S |
|---|---|
| Molecular Weight | 471.98 g/mol |
| LogP | 3.6377 |
| Topological Polar Surface Area | 98.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.9841 |
| Heavy Atoms | 29 |
| Complexity | 1145.611 |
Chemical Identifiers
| CAS Number | 126598-26-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C(S4)CC(=O)O)C5=CC=C(C=C5)Br |
Product Overview
2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid (CAS 126598-26-3), with molecular formula C19H13BrN4O4S and molecular weight 471.98 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid.
Chemical Property Profile of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
Property Insights of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
The XLogP value of 3.6377 indicates that 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid. Following Lipinski's Rule of Five, 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid has 1 hydrogen bond donor(s) and 7 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-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
The CAS number of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is 126598-26-3.
What is the molecular formula of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
The molecular formula of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is C19H13BrN4O4S.
What is the molecular weight of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
The molecular weight of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is 471.98 g/mol.
Where can I buy 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
You can request a quote for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.