4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide
TL;DR: 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide (CAS 85364-22-3) is a chemical compound with molecular formula C25H26F3N5O4S and molecular weight 549.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(3-morpholin-4-ylpropyl)-5,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
Also Known As: 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide, 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide 5,5-dioxide, 4-methyl-N-(3-morpholin-4-ylpropyl)-5,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide, 4-methyl-N-(3-morpholin-4-ylpropyl)-5,5-dioxo-1-[3-(trifluor, 4-methyl-N-(3-morpholinopropyl)-5,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide
| Molecular Formula | C25H26F3N5O4S |
|---|---|
| Molecular Weight | 549.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 549.1658 |
| Heavy Atoms | 38 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 85364-22-3 |
|---|---|
| SMILES | CN1C2=C(C3=CC=CC=C3S1(=O)=O)N(N=C2C(=O)NCCCN4CCOCC4)C5=CC=CC(=C5)C(F)(F)F |
| InChIKey | FVIHLKNRJXTAQO-UHFFFAOYSA-N |
Product Overview
4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide (CAS 85364-22-3), with molecular formula C25H26F3N5O4S and molecular weight 549.17 g/mol. IUPAC: 4-methyl-N-(3-morpholin-4-ylpropyl)-5,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c][1,2]benzothiazine-3-carboxamide.
Chemical Property Profile of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide
Property Insights of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide. Following Lipinski's Rule of Five, 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide?
The CAS number of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide is 85364-22-3.
What is the molecular formula of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide?
The molecular formula of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide is C25H26F3N5O4S.
What is the molecular weight of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide?
The molecular weight of 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide is 549.17 g/mol.
Where can I buy 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide?
You can request a quote for 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-(3-(4-morpholinyl)propyl)-1-(3-(trifluoromethyl)phenyl)-1,4-dihydropyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.