6-Methoxybenzothiazole-4,7-dione
TL;DR: 6-Methoxybenzothiazole-4,7-dione (CAS 50823-21-7) is a chemical compound with molecular formula C8H5NO3S and molecular weight 195.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1,3-benzothiazole-4,7-dione
Also Known As: 4,7-Dioxobenzothiazole analog, 6-Methoxybenzothiazole-4,7-dione, 6-methoxy-4,7-dioxobenzothiazole, 6-methoxy-1,3-benzothiazole-4,7-dione, 4,7-Benzothiazoledione, 6-methoxy- (9CI)
| Molecular Formula | C8H5NO3S |
|---|---|
| Molecular Weight | 195.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.99901 |
| Heavy Atoms | 13 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 50823-21-7 |
|---|---|
| SMILES | COC1=CC(=O)C2=C(C1=O)SC=N2 |
| InChIKey | HABHDFMCOYESFF-UHFFFAOYSA-N |
Product Overview
6-Methoxybenzothiazole-4,7-dione (CAS 50823-21-7), with molecular formula C8H5NO3S and molecular weight 195.00 g/mol. IUPAC: 6-methoxy-1,3-benzothiazole-4,7-dione.
Chemical Property Profile of 6-Methoxybenzothiazole-4,7-dione
Property Insights of 6-Methoxybenzothiazole-4,7-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxybenzothiazole-4,7-dione. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxybenzothiazole-4,7-dione. Following Lipinski's Rule of Five, 6-Methoxybenzothiazole-4,7-dione has 0 hydrogen bond donor(s) and 5 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 6-Methoxybenzothiazole-4,7-dione?
The CAS number of 6-Methoxybenzothiazole-4,7-dione is 50823-21-7.
What is the molecular formula of 6-Methoxybenzothiazole-4,7-dione?
The molecular formula of 6-Methoxybenzothiazole-4,7-dione is C8H5NO3S.
What is the molecular weight of 6-Methoxybenzothiazole-4,7-dione?
The molecular weight of 6-Methoxybenzothiazole-4,7-dione is 195.00 g/mol.
Where can I buy 6-Methoxybenzothiazole-4,7-dione?
You can request a quote for 6-Methoxybenzothiazole-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxybenzothiazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxybenzothiazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.