Grayanotox-10-ene-3beta,5,6beta,14,16-pentol
TL;DR: Grayanotox-10-ene-3beta,5,6beta,14,16-pentol (CAS 4678-44-8) is a chemical compound with molecular formula C20H32O5 and molecular weight 352.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4R,6S,8S,10S,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
Also Known As: Grayanotoxin II, G-II, Deacetylanhydroandromedotoxin, KST-1A5067, delta(sup 10 (18))-Andromedenol
| Molecular Formula | C20H32O5 |
|---|---|
| Molecular Weight | 352.22 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.22498 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 4678-44-8 |
|---|---|
| SMILES | C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CC[C@@H]1C3O)O)O)O |
| InChIKey | KEOQZUCOGXIEQR-BBLSUVPKSA-N |
Product Overview
Grayanotox-10-ene-3beta,5,6beta,14,16-pentol (CAS 4678-44-8), with molecular formula C20H32O5 and molecular weight 352.22 g/mol. IUPAC: (1S,3R,4R,6S,8S,10S,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol.
Chemical Property Profile of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol
Property Insights of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grayanotox-10-ene-3beta,5,6beta,14,16-pentol. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotox-10-ene-3beta,5,6beta,14,16-pentol. Following Lipinski's Rule of Five, Grayanotox-10-ene-3beta,5,6beta,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 Grayanotox-10-ene-3beta,5,6beta,14,16-pentol?
The CAS number of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol is 4678-44-8.
What is the molecular formula of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol?
The molecular formula of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol is C20H32O5.
What is the molecular weight of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol?
The molecular weight of Grayanotox-10-ene-3beta,5,6beta,14,16-pentol is 352.22 g/mol.
Where can I buy Grayanotox-10-ene-3beta,5,6beta,14,16-pentol?
You can request a quote for Grayanotox-10-ene-3beta,5,6beta,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 Grayanotox-10-ene-3beta,5,6beta,14,16-pentol?
Yes, KEHONG BIO provides custom synthesis services for Grayanotox-10-ene-3beta,5,6beta,14,16-pentol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.