Humulinone
TL;DR: Humulinone (CAS 26110-47-4) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)-5-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
Also Known As: Humulinone, Diphenolic acid, cis-Humulinone, 4,4-Bis(4-hydroxyphenyl)valeric acid, 4,4-Bis(p-hydroxyphenyl)valeric acid
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 26110-47-4 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(C(C1=O)(C(=O)CC=C(C)C)O)(CC=C(C)C)O)O |
| InChIKey | KXBNQEYVZSCSNH-UHFFFAOYSA-N |
Product Overview
Humulinone (CAS 26110-47-4), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: 3,4,5-trihydroxy-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)-5-(4-methylpent-3-enoyl)cyclopent-2-en-1-one.
Chemical Property Profile of Humulinone
Property Insights of Humulinone
The XLogP value of 3.6 indicates that Humulinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Humulinone. Following Lipinski's Rule of Five, Humulinone has 3 hydrogen bond donor(s) and 6 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 Humulinone?
The CAS number of Humulinone is 26110-47-4.
What is the molecular formula of Humulinone?
The molecular formula of Humulinone is C21H30O6.
What is the molecular weight of Humulinone?
The molecular weight of Humulinone is 378.20 g/mol.
Where can I buy Humulinone?
You can request a quote for Humulinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humulinone?
Yes, KEHONG BIO provides custom synthesis services for Humulinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.