1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)
TL;DR: 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) (CAS 54851-13-7) is a chemical compound with molecular formula C22H25F3N2O5 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
Also Known As: 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt), 2-(4-m-Trifluoromethylphenylpiperazino)ethanol mono-2-acetoxybenzoate, 4-(3-(Trifluoromethyl)phenyl)-1-piperazineethanol mono(2-(acetyloxy)benzoate) (salt), Benzoic acid, 2-(acetyloxy)-, compd. with 4-(3-(trifluoromethyl)phenyl)-1-piperazineethanol, 2-acetyloxybenzoic acid,2-[4-[3-(trifluoromethyl)phenyl]pipe
| Molecular Formula | C22H25F3N2O5 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 3.1298 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.17157 |
| Heavy Atoms | 32 |
| Complexity | 912.43445 |
Chemical Identifiers
| CAS Number | 54851-13-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.C1CN(CCN1CCO)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) (CAS 54851-13-7), with molecular formula C22H25F3N2O5 and molecular weight 454.17 g/mol. IUPAC: 2-acetyloxybenzoic acid;2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.
Chemical Property Profile of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)
Property Insights of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)
The XLogP value of 3.1298 indicates that 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) 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 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt). Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) has 2 hydrogen bond donor(s) and 6 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-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)?
The CAS number of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) is 54851-13-7.
What is the molecular formula of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)?
The molecular formula of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) is C22H25F3N2O5.
What is the molecular weight of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)?
The molecular weight of 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) is 454.17 g/mol.
Where can I buy 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)?
You can request a quote for 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, mono(2-(acetyloxy)benzoate) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.