Allolicoisoflavone A
TL;DR: Allolicoisoflavone A (CAS 82448-67-7) is a chemical compound with molecular formula C20H18O6 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
Also Known As: Allolicoisoflavone A, 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl)-5,7-dihydroxy-, 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-5,7-dihydroxy-, 2',4',5,7-tetrahydroxy-5'-(3-methyl-2-butenyl)isoflavone, 3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 3.7911 |
| Topological Polar Surface Area | 111.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 1087.6322 |
Chemical Identifiers
| CAS Number | 82448-67-7 |
|---|---|
| SMILES | CC(=CCC1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O)C |
Product Overview
Allolicoisoflavone A (CAS 82448-67-7), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: 3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one.
Chemical Property Profile of Allolicoisoflavone A
Property Insights of Allolicoisoflavone A
The XLogP value of 3.7911 indicates that Allolicoisoflavone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Allolicoisoflavone A. Following Lipinski's Rule of Five, Allolicoisoflavone A has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allolicoisoflavone A?
The CAS number of Allolicoisoflavone A is 82448-67-7.
What is the molecular formula of Allolicoisoflavone A?
The molecular formula of Allolicoisoflavone A is C20H18O6.
What is the molecular weight of Allolicoisoflavone A?
The molecular weight of Allolicoisoflavone A is 354.11 g/mol.
Where can I buy Allolicoisoflavone A?
You can request a quote for Allolicoisoflavone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allolicoisoflavone A?
Yes, KEHONG BIO provides custom synthesis services for Allolicoisoflavone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.