Canadalin
TL;DR: Canadalin (CAS 62475-57-4) 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-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
Also Known As: Canadalin, (S)-(+)-Canadaline, (+-)-Canadaline, (.+-.)-Canadaline, NCI60_002224
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 62475-57-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OCO3 |
| InChIKey | ROAHDZJDHGLGBA-UHFFFAOYSA-N |
Product Overview
Canadalin (CAS 62475-57-4), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde.
Chemical Property Profile of Canadalin
Property Insights of Canadalin
The XLogP value of 3.0 indicates that Canadalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Canadalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Canadalin 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 Canadalin?
The CAS number of Canadalin is 62475-57-4.
What is the molecular formula of Canadalin?
The molecular formula of Canadalin is C21H23NO5.
What is the molecular weight of Canadalin?
The molecular weight of Canadalin is 369.16 g/mol.
Where can I buy Canadalin?
You can request a quote for Canadalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canadalin?
Yes, KEHONG BIO provides custom synthesis services for Canadalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.