Irisoquin
TL;DR: Irisoquin (CAS 101339-26-8) is a chemical compound with molecular formula C25H42O4 and molecular weight 406.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-methoxy-3-octadecylcyclohexa-2,5-diene-1,4-dione
Also Known As: Irisoquin, 2-Hydroxy-3-octadecyl-5-methoxy-1,4-benzoquinone, 1, 2-hydroxy-3-octadecyl-5-methoxy-, 2-hydroxy-5-methoxy-3-octadecylcyclohexa-2,5-diene-1,4-dione, NCI60_004724
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.31 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 101339-26-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O |
| InChIKey | VOJSRSKBOJBZEK-UHFFFAOYSA-N |
Product Overview
Irisoquin (CAS 101339-26-8), with molecular formula C25H42O4 and molecular weight 406.31 g/mol. IUPAC: 2-hydroxy-5-methoxy-3-octadecylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Irisoquin
Property Insights of Irisoquin
The XLogP value of 9.5 indicates that Irisoquin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Irisoquin. Following Lipinski's Rule of Five, Irisoquin has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Irisoquin?
The CAS number of Irisoquin is 101339-26-8.
What is the molecular formula of Irisoquin?
The molecular formula of Irisoquin is C25H42O4.
What is the molecular weight of Irisoquin?
The molecular weight of Irisoquin is 406.31 g/mol.
Where can I buy Irisoquin?
You can request a quote for Irisoquin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irisoquin?
Yes, KEHONG BIO provides custom synthesis services for Irisoquin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.