8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate
TL;DR: 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate (CAS 153804-30-9) is a chemical compound with molecular formula C22H28N4O6S and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol;oxalic acid
Also Known As: 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate, 1-Piperazineethanol, alpha-(((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-(2-pyrimidinyl)-, ethanedioate (1:1), 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol; oxalic acid, Oxalic acid--1-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-2-ol (1/1), RefChem:233902
| Molecular Formula | C22H28N4O6S |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 1.2324 |
| Topological Polar Surface Area | 136.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.17294 |
| Heavy Atoms | 33 |
| Complexity | 912.357 |
Chemical Identifiers
| CAS Number | 153804-30-9 |
|---|---|
| SMILES | C1CC2=C(C(=CC=C2)OCC(CN3CCN(CC3)C4=NC=CC=N4)O)SC1.C(=O)(C(=O)O)O |
Product Overview
8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate (CAS 153804-30-9), with molecular formula C22H28N4O6S and molecular weight 476.17 g/mol. IUPAC: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol;oxalic acid.
Chemical Property Profile of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate
Property Insights of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate
The XLogP value of 1.2324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate. The TPSA of 136.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate. Following Lipinski's Rule of Five, 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate has 3 hydrogen bond donor(s) and 9 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 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
The CAS number of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is 153804-30-9.
What is the molecular formula of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
The molecular formula of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is C22H28N4O6S.
What is the molecular weight of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
The molecular weight of 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is 476.17 g/mol.
Where can I buy 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
You can request a quote for 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-(4-(Pyrimidin-2-yl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.