1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate
TL;DR: 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate (CAS 471916-79-7) is a chemical compound with molecular formula C16H23F3N2O5 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroacetic acid;1-[(2,4,5-trimethoxyphenyl)methyl]piperazine
Also Known As: 1-(2,4,5-trimethoxybenzyl)piperazine trifluoroacetate, BIM-0037020.P001, 1-(2,4,5-Trimethoxybenzyl)piperazinetrifluoroacetate, 2,2,2-trifluoroacetic acid;1-[(2,4,5-trimethoxyphenyl)methyl]piperazine, 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine; trifluoroacetic acid
| Molecular Formula | C16H23F3N2O5 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 1.7509 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1559 |
| Heavy Atoms | 26 |
| Complexity | 589.98334 |
Chemical Identifiers
| CAS Number | 471916-79-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CN2CCNCC2)OC)OC.C(=O)(C(F)(F)F)O |
Product Overview
1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate (CAS 471916-79-7), with molecular formula C16H23F3N2O5 and molecular weight 380.16 g/mol. IUPAC: 2,2,2-trifluoroacetic acid;1-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
Chemical Property Profile of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate
Property Insights of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate
The XLogP value of 1.7509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate. Following Lipinski's Rule of Five, 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate 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-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate?
The CAS number of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate is 471916-79-7.
What is the molecular formula of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate?
The molecular formula of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate is C16H23F3N2O5.
What is the molecular weight of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate?
The molecular weight of 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate is 380.16 g/mol.
Where can I buy 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate?
You can request a quote for 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,5-Trimethoxybenzyl)piperazine trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.