3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)
TL;DR: 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) (CAS 157023-90-0) is a chemical compound with molecular formula C14H17ClN4O4S and molecular weight 372.06592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-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-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1), C14-H16-N4-O4-S.Cl-H.1/2H2-O, N,N-Dimethyl-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-dimethyl-2-(4,5,5-trioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-10-yl)ethanamine oxide hydrochloride
Technical Specifications
| Molecular Formula | C14H17ClN4O4S |
| Molecular Weight | 372.06592 g/mol |
| XLogP | 1.0502 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.06592 Da |
| Heavy Atoms | 24 |
| Complexity | 677.0 |
| SMILES | C[N+](C)(CCN1C2=CC=CC=C2S(=O)(=O)C3=C1C=NNC3=O)[O-].Cl |
| InChIKey | XAUXZTPWKNCLRR-UHFFFAOYSA-N |
Chemical Property Profile of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)
Property Insights of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)
The XLogP value of 1.0502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1). 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-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1). Following Lipinski's Rule of Five, 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) 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-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)?
The CAS number of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) is 157023-90-0.
What is the molecular formula of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)?
The molecular formula of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) is C14H17ClN4O4S.
What is the molecular weight of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)?
The molecular weight of 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) is 372.06592 g/mol.
Where can I buy 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)?
You can request a quote for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) 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-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1)?
Yes, CoreyChem provides custom synthesis services for 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 10-(2-(dimethylamino)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (2:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.