Grayanotoxin-III, 14-deoxy-
TL;DR: Grayanotoxin-III, 14-deoxy- (CAS 54781-61-2) 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,6S,8S,9R,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14-pentol
Also Known As: 14-Deoxy-grayanotoxin-III, Grayanotoxin-III, 14-deoxy-, 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-, RefChem:346670
| 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 | 54781-61-2 |
|---|---|
| SMILES | C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4C[C@@H](C([C@]4([C@@H](C3)O)O)(C)C)O)(C)O)O |
Product Overview
Grayanotoxin-III, 14-deoxy- (CAS 54781-61-2), with molecular formula C20H34O5 and molecular weight 354.24 g/mol. IUPAC: (3R,4R,6S,8S,9R,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14-pentol.
Chemical Property Profile of Grayanotoxin-III, 14-deoxy-
Property Insights of Grayanotoxin-III, 14-deoxy-
The XLogP value of 1.1975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grayanotoxin-III, 14-deoxy-. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotoxin-III, 14-deoxy-. Following Lipinski's Rule of Five, Grayanotoxin-III, 14-deoxy- 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 Grayanotoxin-III, 14-deoxy-?
The CAS number of Grayanotoxin-III, 14-deoxy- is 54781-61-2.
What is the molecular formula of Grayanotoxin-III, 14-deoxy-?
The molecular formula of Grayanotoxin-III, 14-deoxy- is C20H34O5.
What is the molecular weight of Grayanotoxin-III, 14-deoxy-?
The molecular weight of Grayanotoxin-III, 14-deoxy- is 354.24 g/mol.
Where can I buy Grayanotoxin-III, 14-deoxy-?
You can request a quote for Grayanotoxin-III, 14-deoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grayanotoxin-III, 14-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Grayanotoxin-III, 14-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.