1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate
TL;DR: 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate (CAS 67931-99-1) is a chemical compound with molecular formula C25H34F8N4O9P2 and molecular weight 748.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;phosphoric acid
Also Known As: 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate, 1-Piperazineethanol, 4-(4-fluoro-3-(trifluoromethyl)phenyl)-alpha-((4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, phosphate, hydrate (1:2:1) (salt), 1,3-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol; phosphoric acid, Phosphoric acid--1,3-bis{4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol (2/1), RefChem:233835
| Molecular Formula | C25H34F8N4O9P2 |
|---|---|
| Molecular Weight | 748.17 g/mol |
| LogP | 2.4503 |
| Topological Polar Surface Area | 188.71 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 748.16736 |
| Heavy Atoms | 48 |
| Complexity | 1307.1471 |
Chemical Identifiers
| CAS Number | 67931-99-1 |
|---|---|
| SMILES | C1CN(CCN1CC(CN2CCN(CC2)C3=CC(=C(C=C3)F)C(F)(F)F)O)C4=CC(=C(C=C4)F)C(F)(F)F.OP(=O)(O)O.OP(=O)(O)O |
Product Overview
1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate (CAS 67931-99-1), with molecular formula C25H34F8N4O9P2 and molecular weight 748.17 g/mol. IUPAC: 1,3-bis[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;phosphoric acid.
Chemical Property Profile of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate
Property Insights of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate
The XLogP value of 2.4503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate. The TPSA of 188.71 Ų indicates high polarity, suggesting 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate 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-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate?
The CAS number of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate is 67931-99-1.
What is the molecular formula of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate?
The molecular formula of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate is C25H34F8N4O9P2.
What is the molecular weight of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate?
The molecular weight of 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate is 748.17 g/mol.
Where can I buy 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate?
You can request a quote for 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate 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-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-(3-trifluoromethyl-4-fluorophenyl)piperazino)-propan-2-ol diphosphate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.