Thalbadensine
TL;DR: Thalbadensine (CAS 66834-86-4) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S,25S)-5,31-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-4,20-diol
Also Known As: Thalbadensine, Thalbadenzine, J2.402.049E, (1~1~S,3~1~S)-1~7~,3~6~-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~,5~4~-diol, (12S,25S)-5,31-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-4,20-diol
| Molecular Formula | C36H38N2O6 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 |
| Heavy Atoms | 44 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 66834-86-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
| InChIKey | ZRNIZOULGIUTLR-VMPREFPWSA-N |
Product Overview
Thalbadensine (CAS 66834-86-4), with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol. IUPAC: (12S,25S)-5,31-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-4,20-diol.
Chemical Property Profile of Thalbadensine
Property Insights of Thalbadensine
The XLogP value of 6.0 indicates that Thalbadensine 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 Thalbadensine. Following Lipinski's Rule of Five, Thalbadensine has 2 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 Thalbadensine?
The CAS number of Thalbadensine is 66834-86-4.
What is the molecular formula of Thalbadensine?
The molecular formula of Thalbadensine is C36H38N2O6.
What is the molecular weight of Thalbadensine?
The molecular weight of Thalbadensine is 594.27 g/mol.
Where can I buy Thalbadensine?
You can request a quote for Thalbadensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalbadensine?
Yes, KEHONG BIO provides custom synthesis services for Thalbadensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.