Thalibrunine
TL;DR: Thalibrunine (CAS 11021-81-1) is a chemical compound with molecular formula C39H44N2O8 and molecular weight 668.30975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaen-11-ol
Also Known As: Thalibrunine, 5,6,6',7,12-Pentamethoxy-2,2'-dimethyl-1beta-berbaman-14-ol, (1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaen-11-ol
Technical Specifications
| Molecular Formula | C39H44N2O8 |
| Molecular Weight | 668.30975 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 668.30975 Da |
| Heavy Atoms | 49 |
| Complexity | 1060.0 |
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=C(C(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)O)OC)OC |
| InChIKey | CHEQAGGBPWHZMZ-VMPREFPWSA-N |
Chemical Property Profile of Thalibrunine
Property Insights of Thalibrunine
The XLogP value of 6.0 indicates that Thalibrunine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalibrunine. Following Lipinski's Rule of Five, Thalibrunine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thalibrunine?
The CAS number of Thalibrunine is 11021-81-1.
What is the molecular formula of Thalibrunine?
The molecular formula of Thalibrunine is C39H44N2O8.
What is the molecular weight of Thalibrunine?
The molecular weight of Thalibrunine is 668.30975 g/mol.
Where can I buy Thalibrunine?
You can request a quote for Thalibrunine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thalibrunine?
Yes, CoreyChem provides custom synthesis services for Thalibrunine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.