RefChem:1065331
TL;DR: RefChem:1065331 (CAS 57661-31-1) is a chemical compound with molecular formula C16H20F3NO and molecular weight 299.1497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
Also Known As: 2-axial-Hydroxy-2-equatorial-(3-trifluorophenyl)quinolizidine, 2-[3-(trifluoromethyl)phenyl]octahydro-2h-quinolizin-2-ol, 2H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 2-axial-Hydroxy-2-equatorial-(alpha,alpha,alpha-trifluoro-m-tolyl)quinolizidine, 2-equatorial-Hydroxy-2-axial-(3-trifluorophenyl)quinolizidine
Technical Specifications
| Molecular Formula | C16H20F3NO |
| Molecular Weight | 299.1497 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.1497 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | C1CCN2CCC(CC2C1)(C3=CC(=CC=C3)C(F)(F)F)O |
| InChIKey | OABKVAHOXRFSNU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1065331
Property Insights of RefChem:1065331
The XLogP value of 3.2 indicates that RefChem:1065331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1065331 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065331 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1065331?
The CAS number of RefChem:1065331 is 57661-31-1.
What is the molecular formula of RefChem:1065331?
The molecular formula of RefChem:1065331 is C16H20F3NO.
What is the molecular weight of RefChem:1065331?
The molecular weight of RefChem:1065331 is 299.1497 g/mol.
Where can I buy RefChem:1065331?
You can request a quote for RefChem:1065331 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1065331?
Yes, CoreyChem provides custom synthesis services for RefChem:1065331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.