RefChem:239684
TL;DR: RefChem:239684 (CAS 63680-89-7) is a chemical compound with molecular formula C21H27ClN2 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;hydrochloride
Also Known As: 3-(3-Phenylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline hydrochloride, 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-phenylpropyl)-, hydrochloride, 3-(3-phenylpropyl)-2,3,4,4a,5,6-hexahydro-1h-pyrazino[1,2-a]quinoline hydrochloride(1:1), 3-(3-phenylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline hydrochloride, 3-(3-Phenylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline--hydrogen chloride (1/1)
| Molecular Formula | C21H27ClN2 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 4.18 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.18628 |
| Heavy Atoms | 24 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 63680-89-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N3C1CN(CC3)CCCC4=CC=CC=C4.Cl |
| InChIKey | NKAYCEYKHSRZCE-UHFFFAOYSA-N |
Product Overview
RefChem:239684 (CAS 63680-89-7), with molecular formula C21H27ClN2 and molecular weight 342.19 g/mol. IUPAC: 3-(3-phenylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline;hydrochloride.
Chemical Property Profile of RefChem:239684
Property Insights of RefChem:239684
The XLogP value of 4.18 indicates that RefChem:239684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, RefChem:239684 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239684 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 RefChem:239684?
The CAS number of RefChem:239684 is 63680-89-7.
What is the molecular formula of RefChem:239684?
The molecular formula of RefChem:239684 is C21H27ClN2.
What is the molecular weight of RefChem:239684?
The molecular weight of RefChem:239684 is 342.19 g/mol.
Where can I buy RefChem:239684?
You can request a quote for RefChem:239684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239684?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.