Isoauriculatin
TL;DR: Isoauriculatin (CAS 30431-67-5) is a chemical compound with molecular formula C25H24O6 and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-7-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
Also Known As: Isoauriculatin, 5-hydroxy-7-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one, 5-HYDROXY-3-{2-HYDROXY-4-[(3-METHYLBUT-2-EN-1-YL)OXY]PHENYL}-8,8-DIMETHYL-4H,8H-PYRANO[3,2-G]CHROMEN-4-ONE, 5-hydroxy-7-(2-hydroxy-4-(3-methylbut-2-enoxy)phenyl)-2,2-dimethylpyrano(3,2-g)chromen-6-one, 5-Hydroxy-7-[2-hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b ]dipyran-6-one
| Molecular Formula | C25H24O6 |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 5.4004 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.1573 |
| Heavy Atoms | 31 |
| Complexity | 1289.5906 |
Chemical Identifiers
| CAS Number | 30431-67-5 |
|---|---|
| SMILES | CC(=CCOC1=CC(=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)C |
Product Overview
Isoauriculatin (CAS 30431-67-5), with molecular formula C25H24O6 and molecular weight 420.16 g/mol. IUPAC: 5-hydroxy-7-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one.
Chemical Property Profile of Isoauriculatin
Property Insights of Isoauriculatin
The XLogP value of 5.4004 indicates that Isoauriculatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoauriculatin. Following Lipinski's Rule of Five, Isoauriculatin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoauriculatin?
The CAS number of Isoauriculatin is 30431-67-5.
What is the molecular formula of Isoauriculatin?
The molecular formula of Isoauriculatin is C25H24O6.
What is the molecular weight of Isoauriculatin?
The molecular weight of Isoauriculatin is 420.16 g/mol.
Where can I buy Isoauriculatin?
You can request a quote for Isoauriculatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoauriculatin?
Yes, KEHONG BIO provides custom synthesis services for Isoauriculatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.