1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate
TL;DR: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate (CAS 126598-52-5) is a chemical compound with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide
Also Known As: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate, N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide, N,N-Diethyl-2-(1,5,5-trioxo-1,5-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazin-10(2H)-yl)ethan-1-amine N-oxide, RefChem:240127
| Molecular Formula | C16H20N4O4S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 1.4086 |
| Topological Polar Surface Area | 106.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1205 |
| Heavy Atoms | 25 |
| Complexity | 950.60223 |
Chemical Identifiers
| CAS Number | 126598-52-5 |
|---|---|
| SMILES | CC[N+](CC)(CCN1C2=CC=CC=C2S(=O)(=O)C3=C1C(=O)NN=C3)[O-] |
Product Overview
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate (CAS 126598-52-5), with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol. IUPAC: N,N-diethyl-2-(1,5,5-trioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide.
Chemical Property Profile of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate
Property Insights of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate
The XLogP value of 1.4086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate. The TPSA of 106.19 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-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate. Following Lipinski's Rule of Five, 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate has 1 hydrogen bond donor(s) and 6 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-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate?
The CAS number of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate is 126598-52-5.
What is the molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate?
The molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate is C16H20N4O4S.
What is the molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate?
The molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate is 364.12 g/mol.
Where can I buy 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate?
You can request a quote for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate 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-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(diethylamino)ethyl)-, N,5,5-trioxide, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.