4'-O-Methylisoflavone
TL;DR: 4'-O-Methylisoflavone (CAS 1621-58-5) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)chromen-4-one
Also Known As: 4'-methoxyisoflavone, 4'-O-Methylisoflavone, 3-(4-methoxyphenyl)chromen-4-one, a 4'-methoxyisoflavone, 4 -Methoxyisoflavone
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 1621-58-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O |
| InChIKey | RIKPNWPEMPODJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-O-Methylisoflavone (CAS 1621-58-5), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 3-(4-methoxyphenyl)chromen-4-one.
Chemical Property Profile of 4'-O-Methylisoflavone
Property Insights of 4'-O-Methylisoflavone
The XLogP value of 3.2 indicates that 4'-O-Methylisoflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4'-O-Methylisoflavone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-O-Methylisoflavone has 0 hydrogen bond donor(s) and 3 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 4'-O-Methylisoflavone?
The CAS number of 4'-O-Methylisoflavone is 1621-58-5.
What is the molecular formula of 4'-O-Methylisoflavone?
The molecular formula of 4'-O-Methylisoflavone is C16H12O3.
What is the molecular weight of 4'-O-Methylisoflavone?
The molecular weight of 4'-O-Methylisoflavone is 252.08 g/mol.
Where can I buy 4'-O-Methylisoflavone?
You can request a quote for 4'-O-Methylisoflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-Methylisoflavone?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-Methylisoflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.