Canadaline
TL;DR: Canadaline (CAS 52801-27-1) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-6-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehyde
Also Known As: (S)-(+)-Canadaline, (+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline-5-yl]methyl]benzaldehyde, 2,3-dimethoxy-6-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehyde, (+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehyde, (+)-2,3-Dimethoxy-6-[[(5r)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline-5-yl ]methyl ]benzaldehyde
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.0167 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 879.3611 |
Chemical Identifiers
| CAS Number | 52801-27-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@H]1CC4=C(C(=C(C=C4)OC)OC)C=O)OCO3 |
Product Overview
Canadaline (CAS 52801-27-1), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: 2,3-dimethoxy-6-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehyde.
Chemical Property Profile of Canadaline
Property Insights of Canadaline
The XLogP value of 3.0167 indicates that Canadaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, Canadaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Canadaline has 0 hydrogen bond donor(s) and 6 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 Canadaline?
The CAS number of Canadaline is 52801-27-1.
What is the molecular formula of Canadaline?
The molecular formula of Canadaline is C21H23NO5.
What is the molecular weight of Canadaline?
The molecular weight of Canadaline is 369.16 g/mol.
Where can I buy Canadaline?
You can request a quote for Canadaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canadaline?
Yes, KEHONG BIO provides custom synthesis services for Canadaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.