RefChem:322883
TL;DR: RefChem:322883 (CAS 85868-50-4) is a chemical compound with molecular formula C20H26Cl2F3N3O and molecular weight 451.1405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride
Also Known As: Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride, 4-(3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)propoxy)benzenamine dihydrochloride, [4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propoxy]phenyl]azanium dichloride
Technical Specifications
| Molecular Formula | C20H26Cl2F3N3O |
| Molecular Weight | 451.1405 g/mol |
| XLogP | -4.24 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.1405 Da |
| Heavy Atoms | 29 |
| Complexity | 433.0 |
| SMILES | C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)[NH3+])C3=CC=CC(=C3)C(F)(F)F.[Cl-].[Cl-] |
| InChIKey | MKHHQTIDGSLBJD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:322883
Property Insights of RefChem:322883
The XLogP value of -4.24 indicates that RefChem:322883 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.6 Ų, RefChem:322883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322883 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:322883?
The CAS number of RefChem:322883 is 85868-50-4.
What is the molecular formula of RefChem:322883?
The molecular formula of RefChem:322883 is C20H26Cl2F3N3O.
What is the molecular weight of RefChem:322883?
The molecular weight of RefChem:322883 is 451.1405 g/mol.
Where can I buy RefChem:322883?
You can request a quote for RefChem:322883 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:322883?
Yes, CoreyChem provides custom synthesis services for RefChem:322883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.