2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
TL;DR: 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione (CAS 418803-66-4) is a chemical compound with molecular formula C15H4Cl4N2O2S and molecular weight 415.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
Also Known As: 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione, 2-benzothiazol-2-yl-4,5,6,7-tetrachloro-isoindole-1,3-dione, 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H4Cl4N2O2S |
|---|---|
| Molecular Weight | 415.87 g/mol |
| LogP | 5.7105 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 415.87476 |
| Heavy Atoms | 24 |
| Complexity | 983.29895 |
Chemical Identifiers
| CAS Number | 418803-66-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione (CAS 418803-66-4), with molecular formula C15H4Cl4N2O2S and molecular weight 415.87 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
Property Insights of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
The XLogP value of 5.7105 indicates that 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is 418803-66-4.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is C15H4Cl4N2O2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is 415.87 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-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)-4,5,6,7-tetrachloroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.