Berberilaurine
TL;DR: Berberilaurine (CAS 120416-86-6) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12S,25R)-5,20-dimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaene-4,31-diol
Also Known As: Berberilaurine, O6-Demethyllauberine, J2.402.175K, (1R)-7 ,12-Dimethoxy-2,2 -dimethylthalman-6,6 -diol, (1~1~S,3~1~R)-1~7~,5~4~-Dimethoxy-1~2~,3~2~-dimethyl-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(5,1),3(7,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane-1~6~,3~6~-diol
Technical Specifications
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.273 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 Da |
| Heavy Atoms | 44 |
| Complexity | 948.0 |
| SMILES | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)O |
| InChIKey | ZAPNXWOAXFPROC-WDYNHAJCSA-N |
Chemical Property Profile of Berberilaurine
Property Insights of Berberilaurine
The XLogP value of 6.0 indicates that Berberilaurine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Berberilaurine. Following Lipinski's Rule of Five, Berberilaurine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Berberilaurine?
The CAS number of Berberilaurine is 120416-86-6.
What is the molecular formula of Berberilaurine?
The molecular formula of Berberilaurine is C36H38N2O6.
What is the molecular weight of Berberilaurine?
The molecular weight of Berberilaurine is 594.273 g/mol.
Where can I buy Berberilaurine?
You can request a quote for Berberilaurine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Berberilaurine?
Yes, CoreyChem provides custom synthesis services for Berberilaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.