2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione
TL;DR: 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione (CAS 294892-46-9) is a chemical compound with molecular formula C18H12N4O5S2 and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione
Also Known As: BIM-0044682.P001, A2255/0094998, 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione, 2-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindoline-1,3-dione, 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H12N4O5S2 |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 4.1512 |
| Topological Polar Surface Area | 115.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.0249 |
| Heavy Atoms | 29 |
| Complexity | 1129.535 |
Chemical Identifiers
| CAS Number | 294892-46-9 |
|---|---|
| SMILES | CCSC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione (CAS 294892-46-9), with molecular formula C18H12N4O5S2 and molecular weight 428.02 g/mol. IUPAC: 2-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione.
Chemical Property Profile of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione
Property Insights of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione
The XLogP value of 4.1512 indicates that 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 9 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-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The CAS number of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione is 294892-46-9.
What is the molecular formula of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The molecular formula of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione is C18H12N4O5S2.
What is the molecular weight of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The molecular weight of 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione is 428.02 g/mol.
Where can I buy 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
You can request a quote for 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenoxy)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.