Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
TL;DR: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- (CAS 173284-33-8) is a chemical compound with molecular formula C20H26N6OS and molecular weight 398.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-4,6-dimethyl-3-oxoisothiazolo(5,4-b)pyridine, 2-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-4,6-dimethylisothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one, 4,6-dimethyl-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one
| Molecular Formula | C20H26N6OS |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 2.46724 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.18887 |
| Heavy Atoms | 28 |
| Complexity | 991.0937 |
Chemical Identifiers
| CAS Number | 173284-33-8 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C(=O)N(S2)CCCCN3CCN(CC3)C4=NC=CC=N4)C |
Product Overview
Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- (CAS 173284-33-8), with molecular formula C20H26N6OS and molecular weight 398.19 g/mol. IUPAC: 4,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.
Chemical Property Profile of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
Property Insights of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
The XLogP value of 2.46724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-. Following Lipinski's Rule of Five, Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- has 0 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 Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
The CAS number of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is 173284-33-8.
What is the molecular formula of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
The molecular formula of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is C20H26N6OS.
What is the molecular weight of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
The molecular weight of Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is 398.19 g/mol.
Where can I buy Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
You can request a quote for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.