AT-057/43468874
TL;DR: AT-057/43468874 (CAS 1005090-45-8) is a chemical compound with molecular formula C23H32FN3 and molecular weight 369.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-4-yl]-4-(2-fluorophenyl)piperazine
Also Known As: AT-057/43468874, 1-[1-(5-bicyclo[2.2.1]hept-2-enylmethyl)piperidin-4-yl]-4-(2-fluorophenyl)piperazine, 1-[1-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-piperidinyl]-4-(2-fluorophenyl)piperazine, 1-[1-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperidin-4-yl]-4-(2-fluorophenyl)piperazine, 1-(1-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}piperidin-4-yl)-4-(2-fluorophenyl)piperazine
| Molecular Formula | C23H32FN3 |
|---|---|
| Molecular Weight | 369.26 g/mol |
| LogP | 3.6243 |
| Topological Polar Surface Area | 9.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.25803 |
| Heavy Atoms | 27 |
| Complexity | 673.956 |
Chemical Identifiers
| CAS Number | 1005090-45-8 |
|---|---|
| SMILES | C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3F)CC4CC5CC4C=C5 |
Product Overview
AT-057/43468874 (CAS 1005090-45-8), with molecular formula C23H32FN3 and molecular weight 369.26 g/mol. IUPAC: 1-[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-4-yl]-4-(2-fluorophenyl)piperazine.
Chemical Property Profile of AT-057/43468874
Property Insights of AT-057/43468874
The XLogP value of 3.6243 indicates that AT-057/43468874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.72 Ų, AT-057/43468874 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AT-057/43468874 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-057/43468874?
The CAS number of AT-057/43468874 is 1005090-45-8.
What is the molecular formula of AT-057/43468874?
The molecular formula of AT-057/43468874 is C23H32FN3.
What is the molecular weight of AT-057/43468874?
The molecular weight of AT-057/43468874 is 369.26 g/mol.
Where can I buy AT-057/43468874?
You can request a quote for AT-057/43468874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43468874?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43468874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.