2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline
TL;DR: 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline (CAS 21535-56-8) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
Also Known As: starbld0039883, 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline, 1H-Pyrazino[1,2-a]quinoline, 2,3,4,4a,5,6-hexahydro-, 1H,2H,3H,4H,4AH,5H,6H-PIPERAZINO[1,2-A]QUINOLINE, (-)-2,3,4,4a,5,6-Hexahydro-1H-pyrazino[1,2-a]quinoline
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 21535-56-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N3C1CNCC3 |
| InChIKey | CHIINPDGHUONJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline (CAS 21535-56-8), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
Chemical Property Profile of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline
Property Insights of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline. With a topological polar surface area (TPSA) of 15.3 Ų, 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline has 1 hydrogen bond donor(s) and 2 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 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline?
The CAS number of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline is 21535-56-8.
What is the molecular formula of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline?
The molecular formula of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline is C12H16N2.
What is the molecular weight of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline?
The molecular weight of 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline is 188.13 g/mol.
Where can I buy 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline?
You can request a quote for 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.