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Irilin A structure
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Irilin A

TL;DR: Irilin A (CAS 132915-49-2) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one

Also Known As: Irilin A, 5,2'-Dihydroxy-6,7-dimethoxyisoflavone, 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one, 5,2 -Dihydroxy-6,7-dimethoxyisoflavone, 5-Hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

CAS Number
132915-49-2
Molecular Formula
C17H14O6
Molecular Weight
314.07904 g/mol
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Technical Specifications

Molecular FormulaC17H14O6
Molecular Weight314.07904 g/mol
XLogP3.0
Topological Polar Surface Area (TPSA)85.2 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds3
Exact Mass314.07904 Da
Heavy Atoms23
Complexity476.0
SMILESCOC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=CC=C3O)O)OC
InChIKeyHVYFRUIBILXVBU-UHFFFAOYSA-N

Chemical Property Profile of Irilin A

XLogP
3.0
TPSA (Topological Polar Surface Area)
85.2
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
3
Heavy Atoms
23
Complexity
476.0
Exact Mass
314.07904
Monoisotopic Mass
314.07904
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Irilin A

The XLogP value of 3.0 indicates that Irilin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Irilin A. Following Lipinski's Rule of Five, Irilin A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Irilin A?

The CAS number of Irilin A is 132915-49-2.

What is the molecular formula of Irilin A?

The molecular formula of Irilin A is C17H14O6.

What is the molecular weight of Irilin A?

The molecular weight of Irilin A is 314.07904 g/mol.

Where can I buy Irilin A?

You can request a quote for Irilin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Irilin A?

Yes, CoreyChem provides custom synthesis services for Irilin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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