Canaliculatol
TL;DR: Canaliculatol (CAS 114488-83-4) is a chemical compound with molecular formula C42H32O9 and molecular weight 680.20465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4(9),5,7,12(17),13,15,21,23-nonaene-5,7,13,15,23-pentol
Also Known As: Canaliculatol, (-)-Canaliculatol, J2.772.110I, (2S,3R,10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4(9),5,7,12(17),13,15,21,23-nonaene-5,7,13,15,23-pentol, (2R,2aR,7R,7aR,12R,12aS)-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)benzo[7,8]indeno[2 ,1 :4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentaol
Technical Specifications
| Molecular Formula | C42H32O9 |
| Molecular Weight | 680.20465 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 680.20465 Da |
| Heavy Atoms | 51 |
| Complexity | 1190.0 |
| SMILES | C1=CC(=CC=C1[C@H]2[C@@H]3[C@H]([C@@H](C4=C(C=C(C=C4O)O)[C@H]5[C@@H](OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C2C(=CC(=C9)O)O)O |
| InChIKey | UXHSAOFTHSNXMK-KJEVTLEKSA-N |
Chemical Property Profile of Canaliculatol
Property Insights of Canaliculatol
The XLogP value of 6.8 indicates that Canaliculatol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting Canaliculatol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Canaliculatol has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Canaliculatol?
The CAS number of Canaliculatol is 114488-83-4.
What is the molecular formula of Canaliculatol?
The molecular formula of Canaliculatol is C42H32O9.
What is the molecular weight of Canaliculatol?
The molecular weight of Canaliculatol is 680.20465 g/mol.
Where can I buy Canaliculatol?
You can request a quote for Canaliculatol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Canaliculatol?
Yes, CoreyChem provides custom synthesis services for Canaliculatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.