RefChem:350167
TL;DR: RefChem:350167 (CAS 173284-28-1) is a chemical compound with molecular formula C20H26N6O3S and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: 4,6-Dimethyl-7-azosaccharine, 2-(4-(4-(2-pyrimidinyl-1-piperazinyl)butyl)-, Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide, 4,6-dimethyl-1,1-dioxo-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}-1H-1lambda~6~-[1,2]thiazolo[5,4-b]pyridine-1,1,3(2H)-trione, 4,6-dimethyl-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}[1,2]thiazolo[5,4-b]pyridin-3(2h)-one 1,1-dioxide
| Molecular Formula | C20H26N6O3S |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1787 |
| Heavy Atoms | 30 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 173284-28-1 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C |
| InChIKey | APFFNPIZYKWLFR-UHFFFAOYSA-N |
Product Overview
RefChem:350167 (CAS 173284-28-1), with molecular formula C20H26N6O3S and molecular weight 430.18 g/mol. IUPAC: 4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.
Chemical Property Profile of RefChem:350167
Property Insights of RefChem:350167
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350167. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:350167. Following Lipinski's Rule of Five, RefChem:350167 has 0 hydrogen bond donor(s) and 8 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:350167?
The CAS number of RefChem:350167 is 173284-28-1.
What is the molecular formula of RefChem:350167?
The molecular formula of RefChem:350167 is C20H26N6O3S.
What is the molecular weight of RefChem:350167?
The molecular weight of RefChem:350167 is 430.18 g/mol.
Where can I buy RefChem:350167?
You can request a quote for RefChem:350167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350167?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.