AT-057/43316698
TL;DR: AT-057/43316698 (CAS 472984-44-4) is a chemical compound with molecular formula C21H28N2O2 and molecular weight 340.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
Also Known As: AT-057/43316698, 1-[4-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, 1-[4-(5-bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, 1-[4-(6-bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
| Molecular Formula | C21H28N2O2 |
|---|---|
| Molecular Weight | 340.22 g/mol |
| LogP | 2.73022 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.2151 |
| Heavy Atoms | 25 |
| Complexity | 649.0511 |
Chemical Identifiers
| CAS Number | 472984-44-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3CC4CC3C=C4 |
Product Overview
AT-057/43316698 (CAS 472984-44-4), with molecular formula C21H28N2O2 and molecular weight 340.22 g/mol. IUPAC: 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
Chemical Property Profile of AT-057/43316698
Property Insights of AT-057/43316698
The XLogP value of 2.73022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AT-057/43316698. With a topological polar surface area (TPSA) of 32.78 Ų, AT-057/43316698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43316698 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-057/43316698?
The CAS number of AT-057/43316698 is 472984-44-4.
What is the molecular formula of AT-057/43316698?
The molecular formula of AT-057/43316698 is C21H28N2O2.
What is the molecular weight of AT-057/43316698?
The molecular weight of AT-057/43316698 is 340.22 g/mol.
Where can I buy AT-057/43316698?
You can request a quote for AT-057/43316698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43316698?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43316698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.