1-(4-Fluorophenyl)piperazin-1-ium acetate
TL;DR: 1-(4-Fluorophenyl)piperazin-1-ium acetate (CAS 94135-91-8) is a chemical compound with molecular formula C12H17FN2O2 and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)piperazin-1-ium acetate
Also Known As: 1-(p-Fluorophenyl)piperazinium acetate, EINECS 302-963-5
| Molecular Formula | C12H17FN2O2 |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | -1.2985 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.12741 |
| Heavy Atoms | 17 |
| Complexity | 344.0282 |
Chemical Identifiers
| CAS Number | 94135-91-8 |
|---|---|
| SMILES | CC(=O)[O-].C1C[NH+](CCN1)C2=CC=C(C=C2)F |
Product Overview
1-(4-Fluorophenyl)piperazin-1-ium acetate (CAS 94135-91-8), with molecular formula C12H17FN2O2 and molecular weight 240.13 g/mol. IUPAC: 1-(4-fluorophenyl)piperazin-1-ium acetate.
Chemical Property Profile of 1-(4-Fluorophenyl)piperazin-1-ium acetate
Property Insights of 1-(4-Fluorophenyl)piperazin-1-ium acetate
The XLogP value of -1.2985 indicates that 1-(4-Fluorophenyl)piperazin-1-ium acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.6 Ų, 1-(4-Fluorophenyl)piperazin-1-ium acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)piperazin-1-ium acetate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Fluorophenyl)piperazin-1-ium acetate?
The CAS number of 1-(4-Fluorophenyl)piperazin-1-ium acetate is 94135-91-8.
What is the molecular formula of 1-(4-Fluorophenyl)piperazin-1-ium acetate?
The molecular formula of 1-(4-Fluorophenyl)piperazin-1-ium acetate is C12H17FN2O2.
What is the molecular weight of 1-(4-Fluorophenyl)piperazin-1-ium acetate?
The molecular weight of 1-(4-Fluorophenyl)piperazin-1-ium acetate is 240.13 g/mol.
Where can I buy 1-(4-Fluorophenyl)piperazin-1-ium acetate?
You can request a quote for 1-(4-Fluorophenyl)piperazin-1-ium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)piperazin-1-ium acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)piperazin-1-ium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.