2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate
TL;DR: 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate (CAS 214778-16-2) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 3,4,5-trimethoxybenzoate
Also Known As: Maybridge1_005822, 2-oxo-2-phenylethyl 3,4,5-trimethoxybenzoate, phenacyl 3,4,5-trimethoxybenzoate, BAS 00315896, 3,4,5-Trimethoxy-benzoic acid 2-oxo-2-phenyl-ethyl ester
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 214778-16-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C2=CC=CC=C2 |
| InChIKey | OLPYNOARXAQLHF-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate (CAS 214778-16-2), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: phenacyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate
Property Insights of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate
The XLogP value of 3.1 indicates that 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate has 0 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 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate?
The CAS number of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate is 214778-16-2.
What is the molecular formula of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate is C18H18O6.
What is the molecular weight of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate is 330.11 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.