![2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione structure](/static/products/879/879564-63-3.png)
2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione
TL;DR: 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione (CAS 879564-63-3) is a chemical compound with molecular formula C20H14ClN5O2S and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl]isoindole-1,3-dione
Also Known As: 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione, 2-(3-(3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propyl)isoindoline-1,3-dione, 2-[3-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl]isoindole-1,3-dione
| Molecular Formula | C20H14ClN5O2S |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 3.735 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.05566 |
| Heavy Atoms | 29 |
| Complexity | 1212.4904 |
Chemical Identifiers
| CAS Number | 879564-63-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NN4C(=NN=C4S3)C5=CC=C(C=C5)Cl |
Product Overview
2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione (CAS 879564-63-3), with molecular formula C20H14ClN5O2S and molecular weight 423.06 g/mol. IUPAC: 2-[3-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl]isoindole-1,3-dione.
Chemical Property Profile of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione
Property Insights of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.735 indicates that 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 6 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-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione is 879564-63-3.
What is the molecular formula of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione is C20H14ClN5O2S.
What is the molecular weight of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione is 423.06 g/mol.
Where can I buy 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propyl}-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.