RefChem:1058464
TL;DR: RefChem:1058464 (CAS 27114-12-1) is a chemical compound with molecular formula C21H25Cl2FN2O and molecular weight 410.13278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)propan-1-one;dihydrochloride
Also Known As: 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(2-(p-fluorobenzoyl)ethyl)-, dihydrochloride, 1-Propanone,1-(4-fluorophenyl)-3-(1,2,4,4a,5,6-hexahydro-3H-, 1-Propanone, 1-(4-fluorophenyl)-3-(1,2,4,4a,5,6-hexahydro-3H-pyrazino(1,2-a)quinolin-3-yl)-, dihydrochloride, Propiophenone, 4'-fluoro-3-(1,2,4,4a,5,6-hexahydro-3H-pyrazino(1,2-a)quinolin-3-yl)-, dihydrochloride, propiophenone, 4'-fluoro-3-(1,2,4,4a,5,6-hexahydro-3h-pyrazino(1,2-a)quinolin-3-yl)-, dihydrochloride(8ci)
Technical Specifications
| Molecular Formula | C21H25Cl2FN2O |
| Molecular Weight | 410.13278 g/mol |
| XLogP | 4.38 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.13278 Da |
| Heavy Atoms | 27 |
| Complexity | 463.0 |
| SMILES | C1CC2=CC=CC=C2N3C1CN(CC3)CCC(=O)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | QXOWEHJVUGQSBP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1058464
Property Insights of RefChem:1058464
The XLogP value of 4.38 indicates that RefChem:1058464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:1058464 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058464 has 2 hydrogen bond donor(s) and 4 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:1058464?
The CAS number of RefChem:1058464 is 27114-12-1.
What is the molecular formula of RefChem:1058464?
The molecular formula of RefChem:1058464 is C21H25Cl2FN2O.
What is the molecular weight of RefChem:1058464?
The molecular weight of RefChem:1058464 is 410.13278 g/mol.
Where can I buy RefChem:1058464?
You can request a quote for RefChem:1058464 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058464?
Yes, CoreyChem provides custom synthesis services for RefChem:1058464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.