AT-057/43316688
TL;DR: AT-057/43316688 (CAS 423748-69-0) is a chemical compound with molecular formula C21H23F3N2O2 and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenoxy)-1-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
Also Known As: AT-057/43316688, 2-(3-methylphenoxy)-1-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone, 1-[(3-methylphenoxy)acetyl]-4-[2-(trifluoromethyl)benzyl]piperazine, 2-(3-methylphenoxy)-1-{4-[2-(trifluoromethyl)benzyl]piperazin-1-yl}ethanone, 2-(3-METHYLPHENOXY)-1-{4-[2-(TRIFLUOROMETHYL)BENZYL]PIPERAZINO}-1-ETHANONE
| Molecular Formula | C21H23F3N2O2 |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 3.73702 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.17117 |
| Heavy Atoms | 28 |
| Complexity | 815.29315 |
Chemical Identifiers
| CAS Number | 423748-69-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3C(F)(F)F |
Product Overview
AT-057/43316688 (CAS 423748-69-0), with molecular formula C21H23F3N2O2 and molecular weight 392.17 g/mol. IUPAC: 2-(3-methylphenoxy)-1-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone.
Chemical Property Profile of AT-057/43316688
Property Insights of AT-057/43316688
The XLogP value of 3.73702 indicates that AT-057/43316688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, AT-057/43316688 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43316688 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 AT-057/43316688?
The CAS number of AT-057/43316688 is 423748-69-0.
What is the molecular formula of AT-057/43316688?
The molecular formula of AT-057/43316688 is C21H23F3N2O2.
What is the molecular weight of AT-057/43316688?
The molecular weight of AT-057/43316688 is 392.17 g/mol.
Where can I buy AT-057/43316688?
You can request a quote for AT-057/43316688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43316688?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43316688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.