Emericellin
TL;DR: Emericellin (CAS 55812-93-6) 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)-5-(3-methylbut-2-enyl)xanthen-9-one
Also Known As: Emericellin, Variecoxanthone B, 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one, 8-hydroxy-1-(hydroxymethyl)-3-methyl-5-(3-methylbut-2-en-1-yl)-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one, 8-HYDROXY-1-(HYDROXYMETHYL)-3-METHYL-5-(3-METHYL-2-BUTEN-1-YL)-2-((3-METHYL-2-BUTEN-1-YL)OXY)-9H-XANTHEN-9-ONE
| Molecular Formula | C25H28O5 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 5.30622 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.19366 |
| Heavy Atoms | 30 |
| Complexity | 1220.2249 |
Chemical Identifiers
| CAS Number | 55812-93-6 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1OCC=C(C)C)CO)C(=O)C3=C(C=CC(=C3O2)CC=C(C)C)O |
Product Overview
Emericellin (CAS 55812-93-6), with molecular formula C25H28O5 and molecular weight 408.19 g/mol. IUPAC: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one.
Chemical Property Profile of Emericellin
Property Insights of Emericellin
The XLogP value of 5.30622 indicates that Emericellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Emericellin. Following Lipinski's Rule of Five, Emericellin 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 Emericellin?
The CAS number of Emericellin is 55812-93-6.
What is the molecular formula of Emericellin?
The molecular formula of Emericellin is C25H28O5.
What is the molecular weight of Emericellin?
The molecular weight of Emericellin is 408.19 g/mol.
Where can I buy Emericellin?
You can request a quote for Emericellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emericellin?
Yes, KEHONG BIO provides custom synthesis services for Emericellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.