Deoxyhumulone
TL;DR: Deoxyhumulone (CAS 4374-93-0) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one
Also Known As: Deoxyhumulone, 4-Deoxyhumulone, Desoxyhumulone, 4-Deoxy-humulone, Humulone, 4-deoxy-
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 5.0496 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 654.0916 |
Chemical Identifiers
| CAS Number | 4374-93-0 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O |
Product Overview
Deoxyhumulone (CAS 4374-93-0), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one.
Chemical Property Profile of Deoxyhumulone
Property Insights of Deoxyhumulone
The XLogP value of 5.0496 indicates that Deoxyhumulone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxyhumulone. Following Lipinski's Rule of Five, Deoxyhumulone has 3 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 Deoxyhumulone?
The CAS number of Deoxyhumulone is 4374-93-0.
What is the molecular formula of Deoxyhumulone?
The molecular formula of Deoxyhumulone is C21H30O4.
What is the molecular weight of Deoxyhumulone?
The molecular weight of Deoxyhumulone is 346.21 g/mol.
Where can I buy Deoxyhumulone?
You can request a quote for Deoxyhumulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyhumulone?
Yes, KEHONG BIO provides custom synthesis services for Deoxyhumulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.