Centpyraquin
TL;DR: Centpyraquin (CAS 27972-85-6) is a chemical compound with molecular formula C22H27Cl2FN2O and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-2-one;dihydrochloride
Also Known As: Centpyraquin, Compound 69/183, Tyramine glucuronide, KST-1B2627, 1-(4-fluorophenyl)-4-(1,2,4,4a,5,6-hexahydro-3h-pyrazino[1,2-a]quinolin-3-yl)butan-2-one dihydrochloride
| Molecular Formula | C22H27Cl2FN2O |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 4.31 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.14844 |
| Heavy Atoms | 28 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 27972-85-6 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N3C1CN(CC3)CCC(=O)CC4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | QIKOQLHSUDUZIY-UHFFFAOYSA-N |
Product Overview
Centpyraquin (CAS 27972-85-6), with molecular formula C22H27Cl2FN2O and molecular weight 424.15 g/mol. IUPAC: 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-2-one;dihydrochloride.
Chemical Property Profile of Centpyraquin
Property Insights of Centpyraquin
The XLogP value of 4.31 indicates that Centpyraquin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Centpyraquin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Centpyraquin 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
Frequently Asked Questions
What is the CAS number of Centpyraquin?
The CAS number of Centpyraquin is 27972-85-6.
What is the molecular formula of Centpyraquin?
The molecular formula of Centpyraquin is C22H27Cl2FN2O.
What is the molecular weight of Centpyraquin?
The molecular weight of Centpyraquin is 424.15 g/mol.
Where can I buy Centpyraquin?
You can request a quote for Centpyraquin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Centpyraquin?
Yes, KEHONG BIO provides custom synthesis services for Centpyraquin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.