n-humulone
TL;DR: n-humulone (CAS 469-02-3) 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.
3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: n-humulone, Humulone, (R)-Humulone, Humulon, n-humulon
| 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 | 469-02-3 |
|---|---|
| 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-UHFFFAOYSA-N |
Product Overview
n-humulone (CAS 469-02-3), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: 3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of n-humulone
Property Insights of n-humulone
The XLogP value of 4.2 indicates that n-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 n-humulone. Following Lipinski's Rule of Five, n-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 n-humulone?
The CAS number of n-humulone is 469-02-3.
What is the molecular formula of n-humulone?
The molecular formula of n-humulone is C21H30O5.
What is the molecular weight of n-humulone?
The molecular weight of n-humulone is 362.21 g/mol.
Where can I buy n-humulone?
You can request a quote for n-humulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-humulone?
Yes, KEHONG BIO provides custom synthesis services for n-humulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.