Isoprunetin
TL;DR: Isoprunetin (CAS 4569-98-6) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
Also Known As: 5-O-Methylgenistein, Isoprunetin, 5-methoxydaidzein, 5--O-Methylgenistein, Genistein 5-methyl ether
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.8798 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 862.21 |
Chemical Identifiers
| CAS Number | 4569-98-6 |
|---|---|
| SMILES | COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O |
Product Overview
Isoprunetin (CAS 4569-98-6), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one.
Chemical Property Profile of Isoprunetin
Property Insights of Isoprunetin
The XLogP value of 2.8798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoprunetin. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoprunetin. Following Lipinski's Rule of Five, Isoprunetin has 2 hydrogen bond donor(s) and 5 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 Isoprunetin?
The CAS number of Isoprunetin is 4569-98-6.
What is the molecular formula of Isoprunetin?
The molecular formula of Isoprunetin is C16H12O5.
What is the molecular weight of Isoprunetin?
The molecular weight of Isoprunetin is 284.07 g/mol.
Where can I buy Isoprunetin?
You can request a quote for Isoprunetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoprunetin?
Yes, KEHONG BIO provides custom synthesis services for Isoprunetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.