Gadusol
TL;DR: Gadusol (CAS 105660-63-7) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Also Known As: Gadusol, 3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one, 1,4,5-Trihydroxy-5-hydroxymethyl-2-methoxycyclohex-1-en-3-one, 2-Cyclohexen-1-one, 3,5,6-trihydroxy-5-(hydroxymethyl)-2-methoxy-, 2-Cyclohexen-1-one,3,5,6-trihydroxy-5-(hydroxymethyl)-2-methoxy- (9CI)
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 105660-63-7 |
|---|---|
| SMILES | COC1=C(C(C(CC1=O)(CO)O)O)O |
| InChIKey | KENOUOLPKKQXMX-UHFFFAOYSA-N |
Product Overview
Gadusol (CAS 105660-63-7), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: 3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one.
Chemical Property Profile of Gadusol
Property Insights of Gadusol
The XLogP value of -2.0 indicates that Gadusol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gadusol. Following Lipinski's Rule of Five, Gadusol has 4 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 Gadusol?
The CAS number of Gadusol is 105660-63-7.
What is the molecular formula of Gadusol?
The molecular formula of Gadusol is C8H12O6.
What is the molecular weight of Gadusol?
The molecular weight of Gadusol is 204.06 g/mol.
Where can I buy Gadusol?
You can request a quote for Gadusol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadusol?
Yes, KEHONG BIO provides custom synthesis services for Gadusol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.