Humulone
TL;DR: Humulone (CAS 26472-41-3) 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.
(6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: Humulone, Humulon, alpha-Humulon, Humolon, A-Lupulic acid
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 4.2 |
| 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 | 711.0 |
Chemical Identifiers
| CAS Number | 26472-41-3 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(=C([C@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O |
| InChIKey | VMSLCPKYRPDHLN-NRFANRHFSA-N |
Product Overview
Humulone (CAS 26472-41-3), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Humulone
Property Insights of Humulone
The XLogP value of 4.2 indicates that Humulone 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 Humulone. Following Lipinski's Rule of Five, Humulone 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 Humulone?
The CAS number of Humulone is 26472-41-3.
What is the molecular formula of Humulone?
The molecular formula of Humulone is C21H30O5.
What is the molecular weight of Humulone?
The molecular weight of Humulone is 362.21 g/mol.
Where can I buy Humulone?
You can request a quote for Humulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humulone?
Yes, KEHONG BIO provides custom synthesis services for Humulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.