8-Canadinylacetic acid
TL;DR: 8-Canadinylacetic acid (CAS 71266-76-7) is a chemical compound with molecular formula C22H23NO6 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-yl)acetic acid
Also Known As: 8-Canadinylacetic acid, (9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g], (9,10-Dimethoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-yl)acetic acid
| Molecular Formula | C22H23NO6 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.15253 |
| Heavy Atoms | 29 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 71266-76-7 |
|---|---|
| SMILES | COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2CC(=O)O)OCO5)C=C1)OC |
| InChIKey | NIWLAEOTYMDPTG-UHFFFAOYSA-N |
Product Overview
8-Canadinylacetic acid (CAS 71266-76-7), with molecular formula C22H23NO6 and molecular weight 397.15 g/mol. IUPAC: 2-(16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-yl)acetic acid.
Chemical Property Profile of 8-Canadinylacetic acid
Property Insights of 8-Canadinylacetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Canadinylacetic acid. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Canadinylacetic acid. Following Lipinski's Rule of Five, 8-Canadinylacetic acid 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 8-Canadinylacetic acid?
The CAS number of 8-Canadinylacetic acid is 71266-76-7.
What is the molecular formula of 8-Canadinylacetic acid?
The molecular formula of 8-Canadinylacetic acid is C22H23NO6.
What is the molecular weight of 8-Canadinylacetic acid?
The molecular weight of 8-Canadinylacetic acid is 397.15 g/mol.
Where can I buy 8-Canadinylacetic acid?
You can request a quote for 8-Canadinylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Canadinylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Canadinylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.