3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride
TL;DR: 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride (CAS 157023-92-2) is a chemical compound with molecular formula C16H21ClN4O4S and molecular weight 400.0972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-(4,5,5-trioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide;hydrochloride
Also Known As: 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride, N,N-Diethyl-2-(4,5,5-trioxo-3,5-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazin-10(4H)-yl)ethan-1-amine N-oxide--hydrogen chloride (1/1), N,N-diethyl-2-(4,5,5-trioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide hydrochloride
Technical Specifications
| Molecular Formula | C16H21ClN4O4S |
| Molecular Weight | 400.0972 g/mol |
| XLogP | 1.8304 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0972 Da |
| Heavy Atoms | 26 |
| Complexity | 706.0 |
| SMILES | CC[N+](CC)(CCN1C2=CC=CC=C2S(=O)(=O)C3=C1C=NNC3=O)[O-].Cl |
| InChIKey | MYDKZUCJGCHCFQ-UHFFFAOYSA-N |
Chemical Property Profile of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride
Property Insights of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride
The XLogP value of 1.8304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride. Following Lipinski's Rule of Five, 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride?
The CAS number of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride is 157023-92-2.
What is the molecular formula of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride?
The molecular formula of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride is C16H21ClN4O4S.
What is the molecular weight of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride?
The molecular weight of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride is 400.0972 g/mol.
Where can I buy 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride?
You can request a quote for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(diethylamino)ethyl)-, N,5,5-trioxide,monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.