Hexahydrocolupulone
TL;DR: Hexahydrocolupulone (CAS 52755-22-3) is a chemical compound with molecular formula C25H42O4 and molecular weight 406.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-4,6,6-tris(3-methylbutyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Also Known As: Hexahydrocolupulone, 3,5-dihydroxy-4,6,6-tris(3-methylbutyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, 2-Isobutyryl-3,5-dihydroxy-4,6,6-triisopentyl-2,4-cyclohexadien-1-one, 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, CDZ
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.31 g/mol |
| LogP | 6.7134 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 650.31085 |
Chemical Identifiers
| CAS Number | 52755-22-3 |
|---|---|
| SMILES | CC(C)CCC1=C(C(C(=O)C(=C1O)C(=O)C(C)C)(CCC(C)C)CCC(C)C)O |
Product Overview
Hexahydrocolupulone (CAS 52755-22-3), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: 3,5-dihydroxy-4,6,6-tris(3-methylbutyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Hexahydrocolupulone
Property Insights of Hexahydrocolupulone
The XLogP value of 6.7134 indicates that Hexahydrocolupulone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydrocolupulone. Following Lipinski's Rule of Five, Hexahydrocolupulone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexahydrocolupulone?
The CAS number of Hexahydrocolupulone is 52755-22-3.
What is the molecular formula of Hexahydrocolupulone?
The molecular formula of Hexahydrocolupulone is C25H42O4.
What is the molecular weight of Hexahydrocolupulone?
The molecular weight of Hexahydrocolupulone is 406.31 g/mol.
Where can I buy Hexahydrocolupulone?
You can request a quote for Hexahydrocolupulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydrocolupulone?
Yes, KEHONG BIO provides custom synthesis services for Hexahydrocolupulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.