RefChem:239678
TL;DR: RefChem:239678 (CAS 27114-07-4) is a chemical compound with molecular formula C24H31ClN2O3 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride
Also Known As: 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(2-hydroxy-3-(p-propionylphenoxy)propyl)-, hydrochloride, 1-[4-[3-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-2-hydroxypropoxy]phenyl]propan-1-one hydrochloride, 1-{4-[3-(1,2,4,4a,5,6-Hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-2-hydroxypropoxy]phenyl}propan-1-one--hydrogen chloride (1/1), Propiophenone, 4'-[3-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-2-hydroxypropoxy]-, monohydrochloride, RefChem:239678
| Molecular Formula | C24H31ClN2O3 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 3.58 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.20233 |
| Heavy Atoms | 30 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 27114-07-4 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN3C(C2)CCC4=CC=CC=C43)O.Cl |
| InChIKey | GLSCRQYNOJCMSO-UHFFFAOYSA-N |
Product Overview
RefChem:239678 (CAS 27114-07-4), with molecular formula C24H31ClN2O3 and molecular weight 430.20 g/mol. IUPAC: 1-[4-[3-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-2-hydroxypropoxy]phenyl]propan-1-one;hydrochloride.
Chemical Property Profile of RefChem:239678
Property Insights of RefChem:239678
The XLogP value of 3.58 indicates that RefChem:239678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, RefChem:239678 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239678 has 2 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:239678?
The CAS number of RefChem:239678 is 27114-07-4.
What is the molecular formula of RefChem:239678?
The molecular formula of RefChem:239678 is C24H31ClN2O3.
What is the molecular weight of RefChem:239678?
The molecular weight of RefChem:239678 is 430.20 g/mol.
Where can I buy RefChem:239678?
You can request a quote for RefChem:239678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239678?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.