Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-
TL;DR: Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- (CAS 54781-74-7) is a chemical compound with molecular formula C20H32O6 and molecular weight 368.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6S,8S,9R,10R,14R,16S)-4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecan-3-one
Also Known As: 6-Ketograyanotoxin III, 6-Dehydrograyanotoxin III, (3-beta,14R)-3,5,10,14,16-Pentahydroxygrayanotoxan-6-one, Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-, 3,5,10,14,16-Pentahydroxygrayanotoxan-6-one
| Molecular Formula | C20H32O6 |
|---|---|
| Molecular Weight | 368.22 g/mol |
| LogP | 0.3765 |
| Topological Polar Surface Area | 118.22 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 368.21988 |
| Heavy Atoms | 26 |
| Complexity | 654.6868 |
Chemical Identifiers
| CAS Number | 54781-74-7 |
|---|---|
| SMILES | C[C@]1(CC23CC(=O)[C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O |
Product Overview
Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- (CAS 54781-74-7), with molecular formula C20H32O6 and molecular weight 368.22 g/mol. IUPAC: (4R,6S,8S,9R,10R,14R,16S)-4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecan-3-one.
Chemical Property Profile of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-
Property Insights of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-
The XLogP value of 0.3765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-. The TPSA of 118.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-. Following Lipinski's Rule of Five, Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- has 5 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 Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-?
The CAS number of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- is 54781-74-7.
What is the molecular formula of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-?
The molecular formula of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- is C20H32O6.
What is the molecular weight of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-?
The molecular weight of Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- is 368.22 g/mol.
Where can I buy Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-?
You can request a quote for Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-?
Yes, KEHONG BIO provides custom synthesis services for Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.