Isoemericellin
TL;DR: Isoemericellin (CAS 594860-24-9) is a chemical compound with molecular formula C25H28O5 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-7-(3-methylbut-2-enyl)xanthen-9-one
Also Known As: Isoemericellin, Isomericellin, J1.918.060C, 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-7-(3-methylbut-2-enyl)xanthen-9-one, 8-hydroxy-1-(hydroxymethyl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one
| Molecular Formula | C25H28O5 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.19366 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 594860-24-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1OCC=C(C)C)CO)C(=O)C3=C(O2)C=CC(=C3O)CC=C(C)C |
| InChIKey | MDBQNLFOBADTEY-UHFFFAOYSA-N |
Product Overview
Isoemericellin (CAS 594860-24-9), with molecular formula C25H28O5 and molecular weight 408.19 g/mol. IUPAC: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-7-(3-methylbut-2-enyl)xanthen-9-one.
Chemical Property Profile of Isoemericellin
Property Insights of Isoemericellin
The XLogP value of 6.0 indicates that Isoemericellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoemericellin. Following Lipinski's Rule of Five, Isoemericellin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoemericellin?
The CAS number of Isoemericellin is 594860-24-9.
What is the molecular formula of Isoemericellin?
The molecular formula of Isoemericellin is C25H28O5.
What is the molecular weight of Isoemericellin?
The molecular weight of Isoemericellin is 408.19 g/mol.
Where can I buy Isoemericellin?
You can request a quote for Isoemericellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoemericellin?
Yes, KEHONG BIO provides custom synthesis services for Isoemericellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.