5,6-Ethylidene-grayanotoxin III
TL;DR: 5,6-Ethylidene-grayanotoxin III (CAS 59236-85-0) is a chemical compound with molecular formula C22H36O6 and molecular weight 396.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,9S,11S,12R,13R,17R,19S)-5,8,8,12,17-pentamethyl-4,6-dioxapentacyclo[14.2.1.01,13.03,7.07,11]nonadecane-9,12,17,19-tetrol
Also Known As: 5,6-Ethylidene-grayanotoxin III, Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6-(ethylidene acetal), (3-beta,6-beta,14R)-, (5S,6aS,7R,7aR,11R,13aR,14S)-2,4,4,7,11-Pentamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,14-tetrol, 2,4,4,7,11-Pentamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,14-tetrol, RefChem:346665
| Molecular Formula | C22H36O6 |
|---|---|
| Molecular Weight | 396.25 g/mol |
| LogP | 1.5765 |
| Topological Polar Surface Area | 99.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 396.2512 |
| Heavy Atoms | 28 |
| Complexity | 688.51447 |
Chemical Identifiers
| CAS Number | 59236-85-0 |
|---|---|
| SMILES | CC1O[C@@H]2CC34C[C@@](C([C@@H]3O)CC[C@H]4[C@@]([C@H]5C2(O1)C([C@H](C5)O)(C)C)(C)O)(C)O |
Product Overview
5,6-Ethylidene-grayanotoxin III (CAS 59236-85-0), with molecular formula C22H36O6 and molecular weight 396.25 g/mol. IUPAC: (3R,9S,11S,12R,13R,17R,19S)-5,8,8,12,17-pentamethyl-4,6-dioxapentacyclo[14.2.1.01,13.03,7.07,11]nonadecane-9,12,17,19-tetrol.
Chemical Property Profile of 5,6-Ethylidene-grayanotoxin III
Property Insights of 5,6-Ethylidene-grayanotoxin III
The XLogP value of 1.5765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Ethylidene-grayanotoxin III. The TPSA of 99.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Ethylidene-grayanotoxin III. Following Lipinski's Rule of Five, 5,6-Ethylidene-grayanotoxin III has 4 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-Ethylidene-grayanotoxin III?
The CAS number of 5,6-Ethylidene-grayanotoxin III is 59236-85-0.
What is the molecular formula of 5,6-Ethylidene-grayanotoxin III?
The molecular formula of 5,6-Ethylidene-grayanotoxin III is C22H36O6.
What is the molecular weight of 5,6-Ethylidene-grayanotoxin III?
The molecular weight of 5,6-Ethylidene-grayanotoxin III is 396.25 g/mol.
Where can I buy 5,6-Ethylidene-grayanotoxin III?
You can request a quote for 5,6-Ethylidene-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-Ethylidene-grayanotoxin III?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Ethylidene-grayanotoxin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.