![2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid structure](/static/products/1265/126598-25-2.webp)
2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid (CAS 126598-25-2) is a chemical compound with molecular formula C19H13ClN4O4S and molecular weight 428.0346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-, 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]tri, 2-(3-(Benzo[d][1,3]dioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-
Technical Specifications
| Molecular Formula | C19H13ClN4O4S |
| Molecular Weight | 428.0346 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0346 Da |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C(S4)CC(=O)O)C5=CC=C(C=C5)Cl |
| InChIKey | NHIXWUWATNTKLN-UHFFFAOYSA-N |
Chemical Property Profile of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
The XLogP value of 3.6 indicates that 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is 126598-25-2.
What is the molecular formula of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is C19H13ClN4O4S.
What is the molecular weight of 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is 428.0346 g/mol.
Where can I buy 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[3-(1,3-benzodioxol-5-yl)-6-(4-chlorophenyl)-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.