2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione (CAS 326004-69-7) is a chemical compound with molecular formula C15H7N3O4S and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-nitroisoindole-1,3-dione
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-nitroisoindole-1,3-dione, 2-(benzo[d]thiazol-2-yl)-4-nitroisoindoline-1,3-dione, 2-(1,3-benzothiazol-2-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H7N3O4S |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 3.0051 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.01572 |
| Heavy Atoms | 23 |
| Complexity | 977.8796 |
Chemical Identifiers
| CAS Number | 326004-69-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione (CAS 326004-69-7), with molecular formula C15H7N3O4S and molecular weight 325.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione
The XLogP value of 3.0051 indicates that 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-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 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione is 326004-69-7.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione is C15H7N3O4S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione is 325.02 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-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-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4-nitroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.