RefChem:239679
TL;DR: RefChem:239679 (CAS 27114-04-1) is a chemical compound with molecular formula C21H28Cl2N2O and molecular weight 394.15787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-phenylpropan-2-ol;dihydrochloride
Also Known As: KST-1B2626, 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(2-hydroxy-3-phenylpropyl)-, hydrochloride, 1-(1,2,4,4a,5,6-hexahydro-3h-pyrazino[1,2-a]quinolin-3-yl)-3-phenylpropan-2-ol dihydrochloride, 1-(1,2,4,4a,5,6-Hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-3-phenylpropan-2-ol--hydrogen chloride (1/2), 1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-phenylpropan-2-ol dihydrochloride
Technical Specifications
| Molecular Formula | C21H28Cl2N2O |
| Molecular Weight | 394.15787 g/mol |
| XLogP | 3.57 |
| Topological Polar Surface Area (TPSA) | 26.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.15787 Da |
| Heavy Atoms | 26 |
| Complexity | 395.0 |
| SMILES | C1CC2=CC=CC=C2N3C1CN(CC3)CC(CC4=CC=CC=C4)O.Cl.Cl |
| InChIKey | WBDPNBDCQCWMSZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239679
Property Insights of RefChem:239679
The XLogP value of 3.57 indicates that RefChem:239679 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, RefChem:239679 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239679 has 3 hydrogen bond donor(s) and 3 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:239679?
The CAS number of RefChem:239679 is 27114-04-1.
What is the molecular formula of RefChem:239679?
The molecular formula of RefChem:239679 is C21H28Cl2N2O.
What is the molecular weight of RefChem:239679?
The molecular weight of RefChem:239679 is 394.15787 g/mol.
Where can I buy RefChem:239679?
You can request a quote for RefChem:239679 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239679?
Yes, CoreyChem provides custom synthesis services for RefChem:239679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.