Adlupulone
TL;DR: Adlupulone (CAS 31769-60-5) is a chemical compound with molecular formula C26H38O4 and molecular weight 414.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: adhulupone, adlupulon, Phloroglucinol Impurity X, 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4,6,6-tris(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-, 3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
| Molecular Formula | C26H38O4 |
|---|---|
| Molecular Weight | 414.28 g/mol |
| LogP | 6.8638 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.277 |
| Heavy Atoms | 30 |
| Complexity | 814.2594 |
Chemical Identifiers
| CAS Number | 31769-60-5 |
|---|---|
| SMILES | CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O |
Product Overview
Adlupulone (CAS 31769-60-5), with molecular formula C26H38O4 and molecular weight 414.28 g/mol. IUPAC: 3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Adlupulone
Property Insights of Adlupulone
The XLogP value of 6.8638 indicates that Adlupulone 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 Adlupulone. Following Lipinski's Rule of Five, Adlupulone 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 Adlupulone?
The CAS number of Adlupulone is 31769-60-5.
What is the molecular formula of Adlupulone?
The molecular formula of Adlupulone is C26H38O4.
What is the molecular weight of Adlupulone?
The molecular weight of Adlupulone is 414.28 g/mol.
Where can I buy Adlupulone?
You can request a quote for Adlupulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adlupulone?
Yes, KEHONG BIO provides custom synthesis services for Adlupulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.