1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate
TL;DR: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate (CAS 126598-46-7) is a chemical compound with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[hydroxy(methyl)amino]propyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Also Known As: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate, 2-[2-[hydroxy(methyl)amino]propyl]-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one, 2-{2-[Hydroxy(methyl)amino]propyl}-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione, RefChem:240136
| Molecular Formula | C14H16N4O4S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 0.8426 |
| Topological Polar Surface Area | 104.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08923 |
| Heavy Atoms | 23 |
| Complexity | 920.6148 |
Chemical Identifiers
| CAS Number | 126598-46-7 |
|---|---|
| SMILES | CC(CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2)N(C)O |
Product Overview
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate (CAS 126598-46-7), with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol. IUPAC: 2-[2-[hydroxy(methyl)amino]propyl]-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-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate
Property Insights of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate
The XLogP value of 0.8426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate. The TPSA of 104.53 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-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate. Following Lipinski's Rule of Five, 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate has 2 hydrogen bond donor(s) and 7 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-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate?
The CAS number of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate is 126598-46-7.
What is the molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate?
The molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate is C14H16N4O4S.
What is the molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate?
The molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate is 336.09 g/mol.
Where can I buy 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate?
You can request a quote for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate 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-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.