1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate
TL;DR: 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate (CAS 67931-90-2) is a chemical compound with molecular formula C25H36F6N4O9P2 and molecular weight 712.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;phosphoric acid
Also Known As: 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate, 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-alpha-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, phosphate (1:2) (salt), 1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol; phosphoric acid, Phosphoric acid--1,3-bis{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol (2/1), RefChem:233767
| Molecular Formula | C25H36F6N4O9P2 |
|---|---|
| Molecular Weight | 712.19 g/mol |
| LogP | 2.1721 |
| Topological Polar Surface Area | 188.71 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 712.18616 |
| Heavy Atoms | 46 |
| Complexity | 1213.521 |
Chemical Identifiers
| CAS Number | 67931-90-2 |
|---|---|
| SMILES | C1CN(CCN1CC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O)C4=CC=CC(=C4)C(F)(F)F.OP(=O)(O)O.OP(=O)(O)O |
Product Overview
1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate (CAS 67931-90-2), with molecular formula C25H36F6N4O9P2 and molecular weight 712.19 g/mol. IUPAC: 1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;phosphoric acid.
Chemical Property Profile of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate
Property Insights of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate
The XLogP value of 2.1721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate. The TPSA of 188.71 Ų indicates high polarity, suggesting 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate has 7 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 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate?
The CAS number of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate is 67931-90-2.
What is the molecular formula of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate?
The molecular formula of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate is C25H36F6N4O9P2.
What is the molecular weight of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate?
The molecular weight of 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate is 712.19 g/mol.
Where can I buy 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate?
You can request a quote for 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.