1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate
TL;DR: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate (CAS 126598-53-6) is a chemical compound with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-2H-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-10-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate, 10-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-2H-pyridazino[4,5-b][1,4]benzothiazin-1-one, 10-[2-(4-Oxo-1,4lambda~5~-oxazinan-4-yl)ethyl]-2,10-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione, RefChem:240126
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 0.399 |
| Topological Polar Surface Area | 115.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 997.6948 |
Chemical Identifiers
| CAS Number | 126598-53-6 |
|---|---|
| SMILES | C1COCC[N+]1(CCN2C3=CC=CC=C3S(=O)(=O)C4=C2C(=O)NN=C4)[O-] |
Product Overview
1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate (CAS 126598-53-6), with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol. IUPAC: 10-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-2H-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-10-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate
Property Insights of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate
The XLogP value of 0.399 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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate. The TPSA of 115.42 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-(4-morpholinyl)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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate has 1 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-10-(2-(4-morpholinyl)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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate is 126598-53-6.
What is the molecular formula of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate is C16H18N4O5S.
What is the molecular weight of 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate is 378.10 g/mol.
Where can I buy 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(2-(4-morpholinyl)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-(4-morpholinyl)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-(4-morpholinyl)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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.