2-Methoxy-1-oxo-1,2-benzothiazol-3-one
TL;DR: 2-Methoxy-1-oxo-1,2-benzothiazol-3-one (CAS 42860-60-6) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-1-oxo-1,2-benzothiazol-3-one
Also Known As: 2-methoxy-1-oxo-1,2-benzothiazol-3-one, 2-methoxybenzo[d]isothiazol-3(2H)-one 1-oxide, 2-Methoxy-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 0.7264 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 355.73047 |
Chemical Identifiers
| CAS Number | 42860-60-6 |
|---|---|
| SMILES | CON1C(=O)C2=CC=CC=C2S1=O |
Product Overview
2-Methoxy-1-oxo-1,2-benzothiazol-3-one (CAS 42860-60-6), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 2-methoxy-1-oxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one
Property Insights of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one
The XLogP value of 0.7264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-1-oxo-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 46.61 Ų, 2-Methoxy-1-oxo-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-1-oxo-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 3 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-Methoxy-1-oxo-1,2-benzothiazol-3-one?
The CAS number of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one is 42860-60-6.
What is the molecular formula of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one?
The molecular formula of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one is C8H7NO3S.
What is the molecular weight of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one?
The molecular weight of 2-Methoxy-1-oxo-1,2-benzothiazol-3-one is 197.01 g/mol.
Where can I buy 2-Methoxy-1-oxo-1,2-benzothiazol-3-one?
You can request a quote for 2-Methoxy-1-oxo-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-1-oxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-1-oxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.