![2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid structure](/static/products/1265/126598-18-3.webp)
2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
TL;DR: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid (CAS 126598-18-3) is a chemical compound with molecular formula C22H21FN4O5S and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
Also Known As: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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-(3,5-dimethoxyphenyl-4-ethoxyphenyl)-6-(4-fluorophenyl)-, 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1, 2-(3-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-
| Molecular Formula | C22H21FN4O5S |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 3.7015 |
| Topological Polar Surface Area | 108.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.12167 |
| Heavy Atoms | 33 |
| Complexity | 1186.9904 |
Chemical Identifiers
| CAS Number | 126598-18-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)F)OC |
Product Overview
2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid (CAS 126598-18-3), with molecular formula C22H21FN4O5S and molecular weight 472.12 g/mol. IUPAC: 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid.
Chemical Property Profile of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
Property Insights of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
The XLogP value of 3.7015 indicates that 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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 108.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid. Following Lipinski's Rule of Five, 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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
Frequently Asked Questions
What is the CAS number of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
The CAS number of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is 126598-18-3.
What is the molecular formula of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
The molecular formula of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is C22H21FN4O5S.
What is the molecular weight of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
The molecular weight of 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid is 472.12 g/mol.
Where can I buy 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid?
You can request a quote for 2-[3-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-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.