Ononetin
TL;DR: Ononetin (CAS 487-49-0) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
Also Known As: ONONETIN, 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, 2',4'-dihydroxy-2-(4-methoxyphenyl)acetophenone, Spectrum2_000808, Spectrum3_001777
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 487-49-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O |
| InChIKey | XHBZOAYMBBUURD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ononetin (CAS 487-49-0), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone.
Chemical Property Profile of Ononetin
Property Insights of Ononetin
The XLogP value of 3.2 indicates that Ononetin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ononetin. Following Lipinski's Rule of Five, Ononetin has 2 hydrogen bond donor(s) and 4 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 Ononetin?
The CAS number of Ononetin is 487-49-0.
What is the molecular formula of Ononetin?
The molecular formula of Ononetin is C15H14O4.
What is the molecular weight of Ononetin?
The molecular weight of Ononetin is 258.09 g/mol.
Where can I buy Ononetin?
You can request a quote for Ononetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ononetin?
Yes, KEHONG BIO provides custom synthesis services for Ononetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.