4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone
TL;DR: 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone (CAS 15485-66-2) is a chemical compound with molecular formula C15H14O5 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Also Known As: 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone, Biochanin A desoxybenzoin, 1-(2,4,6-TRIHYDROXYPHENYL)-2-(4-METHOXYPHENYL)ETHANONE, 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone, 4499AH
| Molecular Formula | C15H14O5 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.08414 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 15485-66-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O |
| InChIKey | KYODHQXYXKDRTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone (CAS 15485-66-2), with molecular formula C15H14O5 and molecular weight 274.08 g/mol. IUPAC: 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone.
Chemical Property Profile of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone
Property Insights of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone. Following Lipinski's Rule of Five, 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone has 3 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 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone?
The CAS number of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone is 15485-66-2.
What is the molecular formula of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone?
The molecular formula of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone is C15H14O5.
What is the molecular weight of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone?
The molecular weight of 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone is 274.08 g/mol.
Where can I buy 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone?
You can request a quote for 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzyl 2,4,6-trihydroxyphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.