Cycleanine
TL;DR: Cycleanine (CAS 518-94-5) is a chemical compound with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene
Also Known As: Cycleanine, (-)-Cycleanine, O-Methylnorcycleanine, Dimethylisochondodendrine, Isocycleanine
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 518-94-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC |
| InChIKey | ANOXEUSGZWSCQL-LOYHVIPDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycleanine (CAS 518-94-5), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: (11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene.
Chemical Property Profile of Cycleanine
Property Insights of Cycleanine
The XLogP value of 6.7 indicates that Cycleanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycleanine. Following Lipinski's Rule of Five, Cycleanine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cycleanine?
The CAS number of Cycleanine is 518-94-5.
What is the molecular formula of Cycleanine?
The molecular formula of Cycleanine is C38H42N2O6.
What is the molecular weight of Cycleanine?
The molecular weight of Cycleanine is 622.30 g/mol.
Where can I buy Cycleanine?
You can request a quote for Cycleanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycleanine?
Yes, KEHONG BIO provides custom synthesis services for Cycleanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.