![2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid structure](/static/products/847/847758-47-8.png)
2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid
TL;DR: 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid (CAS 847758-47-8) is a chemical compound with molecular formula C21H16N2O5S and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic acid
Also Known As: 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid, {[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1-benzopyran-7-yl]oxy}acetic acid, 2-{[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-chromen-7-yl]oxy}acetic acid
| Molecular Formula | C21H16N2O5S |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 4.0043 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.078 |
| Heavy Atoms | 29 |
| Complexity | 1247.154 |
Chemical Identifiers
| CAS Number | 847758-47-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OCC(=O)O)OC=C(C2=O)C3=NN=C(S3)C4=CC=CC=C4 |
Product Overview
2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid (CAS 847758-47-8), with molecular formula C21H16N2O5S and molecular weight 408.08 g/mol. IUPAC: 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic acid.
Chemical Property Profile of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid
Property Insights of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid
The XLogP value of 4.0043 indicates that 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid. Following Lipinski's Rule of Five, 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic 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-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid?
The CAS number of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid is 847758-47-8.
What is the molecular formula of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid?
The molecular formula of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid is C21H16N2O5S.
What is the molecular weight of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid?
The molecular weight of 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid is 408.08 g/mol.
Where can I buy 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid?
You can request a quote for 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.