RefChem:240132
TL;DR: RefChem:240132 (CAS 126598-49-0) 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.
2-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-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-(4-morpholinyl)ethyl)-, N,5,5-trioxide, hexahydrate, 2-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one, 2-[2-(4-Oxo-1,4lambda~5~-oxazinan-4-yl)ethyl]-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione, RefChem:240132
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 0.4779 |
| Topological Polar Surface Area | 113.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 1011.54047 |
Chemical Identifiers
| CAS Number | 126598-49-0 |
|---|---|
| SMILES | C1COCC[N+]1(CCN2C(=O)C3=C(C=N2)S(=O)(=O)C4=CC=CC=C4N3)[O-] |
Product Overview
RefChem:240132 (CAS 126598-49-0), with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol. IUPAC: 2-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one.
Chemical Property Profile of RefChem:240132
Property Insights of RefChem:240132
The XLogP value of 0.4779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:240132. The TPSA of 113.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:240132. Following Lipinski's Rule of Five, RefChem:240132 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 RefChem:240132?
The CAS number of RefChem:240132 is 126598-49-0.
What is the molecular formula of RefChem:240132?
The molecular formula of RefChem:240132 is C16H18N4O5S.
What is the molecular weight of RefChem:240132?
The molecular weight of RefChem:240132 is 378.10 g/mol.
Where can I buy RefChem:240132?
You can request a quote for RefChem:240132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240132?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.