4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione
TL;DR: 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione (CAS 16258-96-1) is a chemical compound with molecular formula C11H5N3O4S and molecular weight 275.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
Also Known As: 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione, 4-Nitro-2-(thiazol-2-yl)isoindoline-1,3-dione, 4-nitro-2-(1,3-thiazol-2-yl)isoindole-1,3-dione, BAS 01078932, 4-nitro-2-(1,3-thiazol-2-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C11H5N3O4S |
|---|---|
| Molecular Weight | 275.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.0001 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 16258-96-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=CS3 |
| InChIKey | QXESQTMPMWFROE-UHFFFAOYSA-N |
Product Overview
4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione (CAS 16258-96-1), with molecular formula C11H5N3O4S and molecular weight 275.00 g/mol. IUPAC: 4-nitro-2-(1,3-thiazol-2-yl)isoindole-1,3-dione.
Chemical Property Profile of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione
Property Insights of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione. Following Lipinski's Rule of Five, 4-Nitro-2-thiazol-2-yl-isoindole-1,3-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 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione?
The CAS number of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione is 16258-96-1.
What is the molecular formula of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione?
The molecular formula of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione is C11H5N3O4S.
What is the molecular weight of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione?
The molecular weight of 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione is 275.00 g/mol.
Where can I buy 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione?
You can request a quote for 4-Nitro-2-thiazol-2-yl-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 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-thiazol-2-yl-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.