2-(4-Trichloroacetylpiperazin-1-yl) anisole
TL;DR: 2-(4-Trichloroacetylpiperazin-1-yl) anisole (CAS 219963-59-4) is a chemical compound with molecular formula C13H15Cl3N2O2 and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Also Known As: 2-(4-Trichloroacetylpiperazin-1-yl) anisole, Piperazine, 1-(2-methoxyphenyl)-4-(trichloroacetyl)-, 2,2,2-trichloro-1-(4-(2-methoxyphenyl)piperazin-1-yl)ethanone, 2,2,2-trichloro-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone, 1-(2-Methoxyphenyl)-4-trichloroacetylpiperazine
| Molecular Formula | C13H15Cl3N2O2 |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 2.714 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0199 |
| Heavy Atoms | 20 |
| Complexity | 482.74976 |
Chemical Identifiers
| CAS Number | 219963-59-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)C(Cl)(Cl)Cl |
Product Overview
2-(4-Trichloroacetylpiperazin-1-yl) anisole (CAS 219963-59-4), with molecular formula C13H15Cl3N2O2 and molecular weight 336.02 g/mol. IUPAC: 2,2,2-trichloro-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 2-(4-Trichloroacetylpiperazin-1-yl) anisole
Property Insights of 2-(4-Trichloroacetylpiperazin-1-yl) anisole
The XLogP value of 2.714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Trichloroacetylpiperazin-1-yl) anisole. With a topological polar surface area (TPSA) of 32.78 Ų, 2-(4-Trichloroacetylpiperazin-1-yl) anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Trichloroacetylpiperazin-1-yl) anisole has 0 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 2-(4-Trichloroacetylpiperazin-1-yl) anisole?
The CAS number of 2-(4-Trichloroacetylpiperazin-1-yl) anisole is 219963-59-4.
What is the molecular formula of 2-(4-Trichloroacetylpiperazin-1-yl) anisole?
The molecular formula of 2-(4-Trichloroacetylpiperazin-1-yl) anisole is C13H15Cl3N2O2.
What is the molecular weight of 2-(4-Trichloroacetylpiperazin-1-yl) anisole?
The molecular weight of 2-(4-Trichloroacetylpiperazin-1-yl) anisole is 336.02 g/mol.
Where can I buy 2-(4-Trichloroacetylpiperazin-1-yl) anisole?
You can request a quote for 2-(4-Trichloroacetylpiperazin-1-yl) anisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Trichloroacetylpiperazin-1-yl) anisole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Trichloroacetylpiperazin-1-yl) anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.