16-Deoxygrayanotoxin III
TL;DR: 16-Deoxygrayanotoxin III (CAS 59236-83-8) 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,14S,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,16-pentol
Also Known As: 16-Deoxygrayanotoxin III, Grayanotoxane-3,5,6,10,14-pentol, (14S)-Grayanotoxane-3beta,5,6beta,10,14-pentol, Grayanotoxane-3,5,6,10,14-pentol, (3-beta,6-beta,14R)-, 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
| Molecular Formula | C20H34O5 |
|---|---|
| Molecular Weight | 354.24 g/mol |
| LogP | 1.0534 |
| 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 | 574.43384 |
Chemical Identifiers
| CAS Number | 59236-83-8 |
|---|---|
| SMILES | C[C@H]1CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O |
Product Overview
16-Deoxygrayanotoxin III (CAS 59236-83-8), with molecular formula C20H34O5 and molecular weight 354.24 g/mol. IUPAC: (3R,4R,6S,8S,9R,10R,14S,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,16-pentol.
Chemical Property Profile of 16-Deoxygrayanotoxin III
Property Insights of 16-Deoxygrayanotoxin III
The XLogP value of 1.0534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Deoxygrayanotoxin III. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Deoxygrayanotoxin III. Following Lipinski's Rule of Five, 16-Deoxygrayanotoxin III 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 16-Deoxygrayanotoxin III?
The CAS number of 16-Deoxygrayanotoxin III is 59236-83-8.
What is the molecular formula of 16-Deoxygrayanotoxin III?
The molecular formula of 16-Deoxygrayanotoxin III is C20H34O5.
What is the molecular weight of 16-Deoxygrayanotoxin III?
The molecular weight of 16-Deoxygrayanotoxin III is 354.24 g/mol.
Where can I buy 16-Deoxygrayanotoxin III?
You can request a quote for 16-Deoxygrayanotoxin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Deoxygrayanotoxin III?
Yes, KEHONG BIO provides custom synthesis services for 16-Deoxygrayanotoxin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.