Adhumulone
TL;DR: Adhumulone (CAS 36760-20-0) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: Adhumulone, Phloroglucinol Impurity V, J1.237.911K, 3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one, 3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 36760-20-0 |
|---|---|
| SMILES | CCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O |
| InChIKey | LDXMPKMQIKGJFN-UHFFFAOYSA-N |
Product Overview
Adhumulone (CAS 36760-20-0), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: 3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Adhumulone
Property Insights of Adhumulone
The XLogP value of 4.3 indicates that Adhumulone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Adhumulone. Following Lipinski's Rule of Five, Adhumulone has 3 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 Adhumulone?
The CAS number of Adhumulone is 36760-20-0.
What is the molecular formula of Adhumulone?
The molecular formula of Adhumulone is C21H30O5.
What is the molecular weight of Adhumulone?
The molecular weight of Adhumulone is 362.21 g/mol.
Where can I buy Adhumulone?
You can request a quote for Adhumulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adhumulone?
Yes, KEHONG BIO provides custom synthesis services for Adhumulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.