Isocohumulone
TL;DR: Isocohumulone (CAS 25269-20-9) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one
Also Known As: Isocohumulone, Motilide, cis-Isocohumulone, 1-[(Z)-hex-1-enyl]naphthalene, 3,4-Dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methyl-1-oxopent-3-enyl)-2-(2-methyl-1-oxopropyl)cyclopent-2-en-1-one
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 25269-20-9 |
|---|---|
| SMILES | CC(C)C(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O |
| InChIKey | KKXFYHZSOIALRM-UHFFFAOYSA-N |
Product Overview
Isocohumulone (CAS 25269-20-9), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: 3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one.
Chemical Property Profile of Isocohumulone
Property Insights of Isocohumulone
The XLogP value of 3.6 indicates that Isocohumulone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocohumulone. Following Lipinski's Rule of Five, Isocohumulone has 2 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 Isocohumulone?
The CAS number of Isocohumulone is 25269-20-9.
What is the molecular formula of Isocohumulone?
The molecular formula of Isocohumulone is C20H28O5.
What is the molecular weight of Isocohumulone?
The molecular weight of Isocohumulone is 348.19 g/mol.
Where can I buy Isocohumulone?
You can request a quote for Isocohumulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocohumulone?
Yes, KEHONG BIO provides custom synthesis services for Isocohumulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.