Hernandezine
TL;DR: Hernandezine (CAS 6681-13-6) is a chemical compound with molecular formula C39H44N2O7 and molecular weight 652.3149 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-dodecaene
Also Known As: Hernandezine, (+)-Hernandezine, dodecaene, Thalicsimine, Thaliximine
Technical Specifications
| Molecular Formula | C39H44N2O7 |
| Molecular Weight | 652.3149 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 652.3149 Da |
| Heavy Atoms | 48 |
| Complexity | 1030.0 |
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC |
| InChIKey | FUZMQNZACIFDBL-KYJUHHDHSA-N |
Chemical Property Profile of Hernandezine
Property Insights of Hernandezine
The XLogP value of 6.4 indicates that Hernandezine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hernandezine. Following Lipinski's Rule of Five, Hernandezine has 0 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 Hernandezine?
The CAS number of Hernandezine is 6681-13-6.
What is the molecular formula of Hernandezine?
The molecular formula of Hernandezine is C39H44N2O7.
What is the molecular weight of Hernandezine?
The molecular weight of Hernandezine is 652.3149 g/mol.
Where can I buy Hernandezine?
You can request a quote for Hernandezine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hernandezine?
Yes, CoreyChem provides custom synthesis services for Hernandezine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.