阿巴诺喹
TL;DR: 阿巴诺喹 (CAS 90402-40-7) is a chemical compound with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿巴诺喹
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
Also Known As: Abanoquil, abanoquilo, abanoquilum, Abanoquil mesilate, Abanoquil [INN:BAN]
| Molecular Formula | C22H25N3O4 |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.1845 |
| Heavy Atoms | 29 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 90402-40-7 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC |
| InChIKey | ANZIISNSHPKVRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿巴诺喹 (CAS 90402-40-7), with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol. IUPAC: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine.
Chemical Property Profile of 阿巴诺喹
Property Insights of 阿巴诺喹
The XLogP value of 3.4 indicates that 阿巴诺喹 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿巴诺喹. Following Lipinski's Rule of Five, 阿巴诺喹 has 1 hydrogen bond donor(s) and 7 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 阿巴诺喹?
The CAS number of 阿巴诺喹 is 90402-40-7.
What is the molecular formula of 阿巴诺喹?
The molecular formula of 阿巴诺喹 is C22H25N3O4.
What is the molecular weight of 阿巴诺喹?
The molecular weight of 阿巴诺喹 is 395.18 g/mol.
Where can I buy 阿巴诺喹?
You can request a quote for 阿巴诺喹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿巴诺喹?
Yes, KEHONG BIO provides custom synthesis services for 阿巴诺喹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.