2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide
TL;DR: 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide (CAS 21068-98-4) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1,1-dioxo-1λ6,4-benzothiazin-3-one
Also Known As: 4-methoxy-1,1-dioxo-1, 4-Methoxy-2H-1,4-benzothiazin-3 -one1,1-dioxide, 4-Methoxy-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide, 4-Methoxy-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide #, 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 21068-98-4 |
|---|---|
| SMILES | CON1C(=O)CS(=O)(=O)C2=CC=CC=C21 |
| InChIKey | GBELGWFQFIDOIS-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide (CAS 21068-98-4), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 4-methoxy-1,1-dioxo-1λ6,4-benzothiazin-3-one.
Chemical Property Profile of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide
Property Insights of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide 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 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide?
The CAS number of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide is 21068-98-4.
What is the molecular formula of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide?
The molecular formula of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide is C9H9NO4S.
What is the molecular weight of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide?
The molecular weight of 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide is 227.03 g/mol.
Where can I buy 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide?
You can request a quote for 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzothiazin-3(4H)-one, 4-methoxy-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.