4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione
TL;DR: 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione (CAS 326004-64-2) is a chemical compound with molecular formula C11H5N3O5S2 and molecular weight 322.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)isoindole-1,3-dione
Also Known As: F0827-0218, 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione, 4-nitro-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione, 4-nitro-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)isoindole-1,3-dione, 4-nitro-2-(4-oxo-2-thioxothiazolidin-3-yl)isoindoline-1,3-dione
| Molecular Formula | C11H5N3O5S2 |
|---|---|
| Molecular Weight | 322.97 g/mol |
| LogP | 0.9661 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.96707 |
| Heavy Atoms | 21 |
| Complexity | 731.37427 |
Chemical Identifiers
| CAS Number | 326004-64-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
Product Overview
4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione (CAS 326004-64-2), with molecular formula C11H5N3O5S2 and molecular weight 322.97 g/mol. IUPAC: 4-nitro-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)isoindole-1,3-dione.
Chemical Property Profile of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione
Property Insights of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.9661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione has 0 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 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione is 326004-64-2.
What is the molecular formula of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione is C11H5N3O5S2.
What is the molecular weight of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione is 322.97 g/mol.
Where can I buy 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-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 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.