Grayanotox-10-ene-3,5,6,12,14,16-hexol
TL;DR: Grayanotox-10-ene-3,5,6,12,14,16-hexol (CAS 38587-74-5) 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.
5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,12,14,16-hexol
Also Known As: Grayanotoxin XI, 3-Piperidinobenzothiophen, grayanotox-10-ene-3,5,6,12,14,16-hexol, 5-(2-fluorophenyl)-2-(prop-2-ynylamino)-1,3-oxazol-4-one, 5-(2-Fluorophenyl)-2-(prop-2-yn-1-ylamino)oxazol-4(5H)-one
| Molecular Formula | C20H32O6 |
|---|---|
| Molecular Weight | 368.22 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 368.21988 |
| Heavy Atoms | 26 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 38587-74-5 |
|---|---|
| SMILES | CC1(C(CC2C1(C(CC34CC(C(C3O)C(CC4C2=C)O)(C)O)O)O)O)C |
| InChIKey | IHEDDHMJFFWQJA-UHFFFAOYSA-N |
Product Overview
Grayanotox-10-ene-3,5,6,12,14,16-hexol (CAS 38587-74-5), with molecular formula C20H32O6 and molecular weight 368.22 g/mol. IUPAC: 5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,12,14,16-hexol.
Chemical Property Profile of Grayanotox-10-ene-3,5,6,12,14,16-hexol
Property Insights of Grayanotox-10-ene-3,5,6,12,14,16-hexol
The XLogP value of -0.8 indicates that Grayanotox-10-ene-3,5,6,12,14,16-hexol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Grayanotox-10-ene-3,5,6,12,14,16-hexol. Following Lipinski's Rule of Five, Grayanotox-10-ene-3,5,6,12,14,16-hexol has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Grayanotox-10-ene-3,5,6,12,14,16-hexol?
The CAS number of Grayanotox-10-ene-3,5,6,12,14,16-hexol is 38587-74-5.
What is the molecular formula of Grayanotox-10-ene-3,5,6,12,14,16-hexol?
The molecular formula of Grayanotox-10-ene-3,5,6,12,14,16-hexol is C20H32O6.
What is the molecular weight of Grayanotox-10-ene-3,5,6,12,14,16-hexol?
The molecular weight of Grayanotox-10-ene-3,5,6,12,14,16-hexol is 368.22 g/mol.
Where can I buy Grayanotox-10-ene-3,5,6,12,14,16-hexol?
You can request a quote for Grayanotox-10-ene-3,5,6,12,14,16-hexol 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-3,5,6,12,14,16-hexol?
Yes, KEHONG BIO provides custom synthesis services for Grayanotox-10-ene-3,5,6,12,14,16-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.