5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione
TL;DR: 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione (CAS 518008-96-3) is a chemical compound with molecular formula C16H10N2O2S and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-2-methylisoindole-1,3-dione
Also Known As: 5-(1,3-benzothiazol-2-yl)-2-methylisoindole-1,3-dione, 5-(1,3-benzothiazol-2-yl)-2-methyl-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C16H10N2O2S |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 3.1891 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.0463 |
| Heavy Atoms | 21 |
| Complexity | 880.5359 |
Chemical Identifiers
| CAS Number | 518008-96-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione (CAS 518008-96-3), with molecular formula C16H10N2O2S and molecular weight 294.05 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-2-methylisoindole-1,3-dione.
Chemical Property Profile of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione
Property Insights of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione
The XLogP value of 3.1891 indicates that 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-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, 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione has 0 hydrogen bond donor(s) and 4 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 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione?
The CAS number of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione is 518008-96-3.
What is the molecular formula of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione?
The molecular formula of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione is C16H10N2O2S.
What is the molecular weight of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione?
The molecular weight of 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione is 294.05 g/mol.
Where can I buy 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione?
You can request a quote for 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-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 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzothiazol-2-yl)-2-methylisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.