5,6:14,16-Diethylidine-grayanotoxin III
TL;DR: 5,6:14,16-Diethylidine-grayanotoxin III (CAS 59331-15-6) is a chemical compound with molecular formula C24H38O6 and molecular weight 422.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,9S,11S,12R,13R,16R,17R,21R)-5,8,8,12,19,21-hexamethyl-4,6,18,20-tetraoxahexacyclo[11.9.0.01,17.03,7.07,11.016,21]docosane-9,12-diol
Also Known As: 5,6:14,16-Diethylidine-grayanotoxin III, Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6:14,16-bis(ethylidene acetal), (3-beta,6-beta,14R)-, (5S,6aS,7R,7aR,9aR,10R,13aR,14aR)-2,4,4,7,10,12-Hexamethyldodecahydro-2H,10H,12H-10,13b-methano[1,3]dioxolo[8,8a]azuleno[5,6-h][1,3]benzodioxine-5,7-diol, 2,4,4,7,10,12-Hexamethyldodecahydro-2H,10H,12H-10,13b-methano[1,3]dioxolo[8,8a]azuleno[5,6-h][1,3]benzodioxine-5,7-diol
| Molecular Formula | C24H38O6 |
|---|---|
| Molecular Weight | 422.27 g/mol |
| LogP | 2.9847 |
| Topological Polar Surface Area | 77.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 422.26685 |
| Heavy Atoms | 30 |
| Complexity | 766.7951 |
Chemical Identifiers
| CAS Number | 59331-15-6 |
|---|---|
| SMILES | CC1O[C@@H]2CC34C[C@@]5([C@@H]([C@H]3OC(O5)C)CC[C@H]4[C@@]([C@H]6C2(O1)C([C@H](C6)O)(C)C)(C)O)C |
Product Overview
5,6:14,16-Diethylidine-grayanotoxin III (CAS 59331-15-6), with molecular formula C24H38O6 and molecular weight 422.27 g/mol. IUPAC: (3R,9S,11S,12R,13R,16R,17R,21R)-5,8,8,12,19,21-hexamethyl-4,6,18,20-tetraoxahexacyclo[11.9.0.01,17.03,7.07,11.016,21]docosane-9,12-diol.
Chemical Property Profile of 5,6:14,16-Diethylidine-grayanotoxin III
Property Insights of 5,6:14,16-Diethylidine-grayanotoxin III
The XLogP value of 2.9847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6:14,16-Diethylidine-grayanotoxin III. The TPSA of 77.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6:14,16-Diethylidine-grayanotoxin III. Following Lipinski's Rule of Five, 5,6:14,16-Diethylidine-grayanotoxin III has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6:14,16-Diethylidine-grayanotoxin III?
The CAS number of 5,6:14,16-Diethylidine-grayanotoxin III is 59331-15-6.
What is the molecular formula of 5,6:14,16-Diethylidine-grayanotoxin III?
The molecular formula of 5,6:14,16-Diethylidine-grayanotoxin III is C24H38O6.
What is the molecular weight of 5,6:14,16-Diethylidine-grayanotoxin III?
The molecular weight of 5,6:14,16-Diethylidine-grayanotoxin III is 422.27 g/mol.
Where can I buy 5,6:14,16-Diethylidine-grayanotoxin III?
You can request a quote for 5,6:14,16-Diethylidine-grayanotoxin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6:14,16-Diethylidine-grayanotoxin III?
Yes, KEHONG BIO provides custom synthesis services for 5,6:14,16-Diethylidine-grayanotoxin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.