异葎草酮
TL;DR: 异葎草酮 (CAS 25522-96-7) 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.
异葎草酮
3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
Also Known As: Isohumulone, Isohumulone A, Photoisohumulone, trans-Isohumulone, Isohumulone A2
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 685.0 |
| Melting Point | 62 - 63 °C |
Chemical Identifiers
| CAS Number | 25522-96-7 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O |
| InChIKey | QARXXMMQVDCYGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异葎草酮 (CAS 25522-96-7), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one.
Chemical Property Profile of 异葎草酮
Property Insights of 异葎草酮
The XLogP value of 3.8 indicates that 异葎草酮 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 异葎草酮. Following Lipinski's Rule of Five, 异葎草酮 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 异葎草酮?
The CAS number of 异葎草酮 is 25522-96-7.
What is the molecular formula of 异葎草酮?
The molecular formula of 异葎草酮 is C21H30O5.
What is the molecular weight of 异葎草酮?
The molecular weight of 异葎草酮 is 362.21 g/mol.
Where can I buy 异葎草酮?
You can request a quote for 异葎草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异葎草酮?
Yes, KEHONG BIO provides custom synthesis services for 异葎草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.