Canellin A
TL;DR: Canellin A (CAS 54835-74-4) is a chemical compound with molecular formula C21H28O6 and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,6R,7S)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol
Also Known As: CANELLIN A, (1R,2R,3S,6R,7S)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo(3.2.1)octane-2,8-diol, (1R,2R,3S,6R,7S)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol, (1R,2R,3S,6R,7S)-7-(2H-1,3-Benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]octane-2,8-diol, (3S,4R,5R,6S,7R)-6-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-7-methyl-1-prop-2-enylbicyclo[3.2.1]octane-4,8-diol
| Molecular Formula | C21H28O6 |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.1886 |
| Heavy Atoms | 27 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 54835-74-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@]2([C@@H]([C@H](CC1(C2O)CC=C)OC)O)OC)C3=CC4=C(C=C3)OCO4 |
| InChIKey | ARPWINJFGMKMTO-NNGSIYRHSA-N |
Product Overview
Canellin A (CAS 54835-74-4), with molecular formula C21H28O6 and molecular weight 376.19 g/mol. IUPAC: (1R,2R,3S,6R,7S)-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-diol.
Chemical Property Profile of Canellin A
Property Insights of Canellin A
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Canellin A. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Canellin A. Following Lipinski's Rule of Five, Canellin A has 2 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 Canellin A?
The CAS number of Canellin A is 54835-74-4.
What is the molecular formula of Canellin A?
The molecular formula of Canellin A is C21H28O6.
What is the molecular weight of Canellin A?
The molecular weight of Canellin A is 376.19 g/mol.
Where can I buy Canellin A?
You can request a quote for Canellin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canellin A?
Yes, KEHONG BIO provides custom synthesis services for Canellin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.