RefChem:269179
TL;DR: RefChem:269179 (CAS 57661-30-0) is a chemical compound with molecular formula C16H20F3NO and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9aR)-2-[3-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
Also Known As: KST-1A6320, 2-equatorial-Hydroxy-2-axial-(3-trifluorophenyl)quinolizidine, (9ar)-2-[3-(trifluoromethyl)phenyl]octahydro-2h-quinolizin-2-ol, 2-equatorial-Hydroxy-2-axial-(alpha,alpha,alpha-trifluoro-m-tolyl)quinolizidine, (9aR)-2-[3-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
| Molecular Formula | C16H20F3NO |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.1497 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 57661-30-0 |
|---|---|
| SMILES | C1CCN2CCC(C[C@H]2C1)(C3=CC(=CC=C3)C(F)(F)F)O |
| InChIKey | OABKVAHOXRFSNU-GICMACPYSA-N |
Product Overview
RefChem:269179 (CAS 57661-30-0), with molecular formula C16H20F3NO and molecular weight 299.15 g/mol. IUPAC: (9aR)-2-[3-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol.
Chemical Property Profile of RefChem:269179
Property Insights of RefChem:269179
The XLogP value of 3.2 indicates that RefChem:269179 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:269179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:269179 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
Frequently Asked Questions
What is the CAS number of RefChem:269179?
The CAS number of RefChem:269179 is 57661-30-0.
What is the molecular formula of RefChem:269179?
The molecular formula of RefChem:269179 is C16H20F3NO.
What is the molecular weight of RefChem:269179?
The molecular weight of RefChem:269179 is 299.15 g/mol.
Where can I buy RefChem:269179?
You can request a quote for RefChem:269179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269179?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.