![2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione structure](/static/products/799/799772-36-4.png)
2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione
TL;DR: 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione (CAS 799772-36-4) is a chemical compound with molecular formula C23H15N3O5S2 and molecular weight 477.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione
Also Known As: 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione, 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]benzothiazol-6-yl]isoindole-1,3-dione, 2-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione, 2-{2-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C23H15N3O5S2 |
|---|---|
| Molecular Weight | 477.05 g/mol |
| LogP | 5.306 |
| Topological Polar Surface Area | 102.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.04532 |
| Heavy Atoms | 33 |
| Complexity | 1414.3185 |
Chemical Identifiers
| CAS Number | 799772-36-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-] |
Product Overview
2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione (CAS 799772-36-4), with molecular formula C23H15N3O5S2 and molecular weight 477.05 g/mol. IUPAC: 2-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione
Property Insights of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione
The XLogP value of 5.306 indicates that 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione?
The CAS number of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione is 799772-36-4.
What is the molecular formula of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione?
The molecular formula of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione is C23H15N3O5S2.
What is the molecular weight of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione?
The molecular weight of 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione is 477.05 g/mol.
Where can I buy 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione?
You can request a quote for 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-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-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4-methoxy-3-nitrobenzyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.