1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide
TL;DR: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide (CAS 126598-39-8) is a chemical compound with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Also Known As: NCI60_013953, 2-Methyl-2H-pyridazino(4,5-b)(1,4)benzothiazin-1(10H)-one-5,5-dioxide, 2,10-Dihydro-2-methyl-1H-pyridazino(4,5-b)(1,4)benzothiazin-1-one 5,5-dioxide, 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide, 2-methyl-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one
| Molecular Formula | C11H9N3O3S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.03647 |
| Heavy Atoms | 18 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 126598-39-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2 |
| InChIKey | YKNVKHAYVZQLNM-UHFFFAOYSA-N |
Product Overview
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide (CAS 126598-39-8), with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol. IUPAC: 2-methyl-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one.
Chemical Property Profile of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide
Property Insights of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide. Following Lipinski's Rule of Five, 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide has 1 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 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide?
The CAS number of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide is 126598-39-8.
What is the molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide?
The molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide is C11H9N3O3S.
What is the molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide?
The molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide is 263.04 g/mol.
Where can I buy 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide?
You can request a quote for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-methyl-, 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.