曲喹辛
TL;DR: 曲喹辛 (CAS 79855-88-2) is a chemical compound with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲喹辛
9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: trequinsin, Trequinsine, Trequinsinum, trequinsina, Trequinsin [INN]
| Molecular Formula | C24H27N3O3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.20523 |
| Heavy Atoms | 30 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 79855-88-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C |
| InChIKey | MCMSJVMUSBZUCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲喹辛 (CAS 79855-88-2), with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol. IUPAC: 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of 曲喹辛
Property Insights of 曲喹辛
The XLogP value of 3.9 indicates that 曲喹辛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 曲喹辛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曲喹辛 has 0 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 曲喹辛?
The CAS number of 曲喹辛 is 79855-88-2.
What is the molecular formula of 曲喹辛?
The molecular formula of 曲喹辛 is C24H27N3O3.
What is the molecular weight of 曲喹辛?
The molecular weight of 曲喹辛 is 405.21 g/mol.
Where can I buy 曲喹辛?
You can request a quote for 曲喹辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲喹辛?
Yes, KEHONG BIO provides custom synthesis services for 曲喹辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.