8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate
TL;DR: 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate (CAS 153804-27-4) is a chemical compound with molecular formula C32H36F2N2O5S and molecular weight 598.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(4-fluorophenyl)methyl]-4-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperazine;oxalic acid
Also Known As: 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate, Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-, ethanedioate (1:1), 1-[bis(4-fluorophenyl)methyl]-4-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperazine; oxalic acid, Oxalic acid--1-[bis(4-fluorophenyl)methyl]-4-{4-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]butyl}piperazine (1/1), RefChem:372458
| Molecular Formula | C32H36F2N2O5S |
|---|---|
| Molecular Weight | 598.23 g/mol |
| LogP | 5.7249 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.2313 |
| Heavy Atoms | 42 |
| Complexity | 1257.9862 |
Chemical Identifiers
| CAS Number | 153804-27-4 |
|---|---|
| SMILES | C1CC2=C(C(=CC=C2)OCCCCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)SC1.C(=O)(C(=O)O)O |
Product Overview
8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate (CAS 153804-27-4), with molecular formula C32H36F2N2O5S and molecular weight 598.23 g/mol. IUPAC: 1-[bis(4-fluorophenyl)methyl]-4-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperazine;oxalic acid.
Chemical Property Profile of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate
Property Insights of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate
The XLogP value of 5.7249 indicates that 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate. Following Lipinski's Rule of Five, 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate?
The CAS number of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate is 153804-27-4.
What is the molecular formula of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate?
The molecular formula of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate is C32H36F2N2O5S.
What is the molecular weight of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate?
The molecular weight of 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate is 598.23 g/mol.
Where can I buy 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate?
You can request a quote for 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.