![Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate structure](/static/products/5405/540520-66-9.webp)
Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate
TL;DR: Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate (CAS 540520-66-9) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxybenzoate
Also Known As: methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate, methyl 4-((1-oxo-1-(p-tolyl)propan-2-yl)oxy)benzoate, methyl 4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxybenzoate, methyl 4-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}benzoate
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.43182 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 656.49146 |
Chemical Identifiers
| CAS Number | 540520-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)OC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate (CAS 540520-66-9), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: methyl 4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxybenzoate.
Chemical Property Profile of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate
Property Insights of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate
The XLogP value of 3.43182 indicates that Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate has 0 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 Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate?
The CAS number of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate is 540520-66-9.
What is the molecular formula of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate?
The molecular formula of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate is C18H18O4.
What is the molecular weight of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate?
The molecular weight of Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate is 298.12 g/mol.
Where can I buy Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate?
You can request a quote for Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[1-methyl-2-(4-methylphenyl)-2-oxoethoxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.