Grayanotoxane-5,6,10,14,16-pentol
TL;DR: Grayanotoxane-5,6,10,14,16-pentol (CAS 59236-84-9) is a chemical compound with molecular formula C20H34O5 and molecular weight 354.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,9,14,16-pentol
Also Known As: 3-Deoxygrayanotoxin III, Grayanotoxane-5,6,10,14,16-pentol, (6-beta,14-R)Grayanotoxane-5,6,10,14,16-pentol, (14S)-Grayanotoxane-5,6beta,10,14,16-pentol, Grayanotoxane-5,6,10,14,16-pentol, (6-beta,14-R)-
| Molecular Formula | C20H34O5 |
|---|---|
| Molecular Weight | 354.24 g/mol |
| LogP | 1.1975 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.24063 |
| Heavy Atoms | 25 |
| Complexity | 584.63556 |
Chemical Identifiers
| CAS Number | 59236-84-9 |
|---|---|
| SMILES | C[C@]1(CC23C[C@H]([C@]4([C@@H](CCC4(C)C)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O)O |
Product Overview
Grayanotoxane-5,6,10,14,16-pentol (CAS 59236-84-9), with molecular formula C20H34O5 and molecular weight 354.24 g/mol. IUPAC: (3R,4R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,9,14,16-pentol.
Chemical Property Profile of Grayanotoxane-5,6,10,14,16-pentol
Property Insights of Grayanotoxane-5,6,10,14,16-pentol
The XLogP value of 1.1975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grayanotoxane-5,6,10,14,16-pentol. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotoxane-5,6,10,14,16-pentol. Following Lipinski's Rule of Five, Grayanotoxane-5,6,10,14,16-pentol has 5 hydrogen bond donor(s) and 5 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 Grayanotoxane-5,6,10,14,16-pentol?
The CAS number of Grayanotoxane-5,6,10,14,16-pentol is 59236-84-9.
What is the molecular formula of Grayanotoxane-5,6,10,14,16-pentol?
The molecular formula of Grayanotoxane-5,6,10,14,16-pentol is C20H34O5.
What is the molecular weight of Grayanotoxane-5,6,10,14,16-pentol?
The molecular weight of Grayanotoxane-5,6,10,14,16-pentol is 354.24 g/mol.
Where can I buy Grayanotoxane-5,6,10,14,16-pentol?
You can request a quote for Grayanotoxane-5,6,10,14,16-pentol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grayanotoxane-5,6,10,14,16-pentol?
Yes, KEHONG BIO provides custom synthesis services for Grayanotoxane-5,6,10,14,16-pentol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.