8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate
TL;DR: 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate (CAS 153804-32-1) is a chemical compound with molecular formula C25H29F3N2O6S and molecular weight 542.17 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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;oxalic acid
Also Known As: 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate, 1-Piperazineethanol, alpha-(((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)methyl)-4-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:1) (salt), 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol; oxalic acid, Oxalic acid--1-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol (1/1), RefChem:233903
| Molecular Formula | C25H29F3N2O6S |
|---|---|
| Molecular Weight | 542.17 g/mol |
| LogP | 3.4612 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.16986 |
| Heavy Atoms | 37 |
| Complexity | 1064.6328 |
Chemical Identifiers
| CAS Number | 153804-32-1 |
|---|---|
| SMILES | C1CC2=C(C(=CC=C2)OCC(CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O)SC1.C(=O)(C(=O)O)O |
Product Overview
8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate (CAS 153804-32-1), with molecular formula C25H29F3N2O6S and molecular weight 542.17 g/mol. IUPAC: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;oxalic acid.
Chemical Property Profile of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate
Property Insights of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate
The XLogP value of 3.4612 indicates that 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate. Following Lipinski's Rule of Five, 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
The CAS number of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is 153804-32-1.
What is the molecular formula of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
The molecular formula of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is C25H29F3N2O6S.
What is the molecular weight of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
The molecular weight of 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate is 542.17 g/mol.
Where can I buy 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
You can request a quote for 8-((3-(4-(3-Trifluoromethylphenyl)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-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)-2-hydroxypropyl)oxy)thiochroman oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.