Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester
TL;DR: Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester (CAS 72942-62-2) 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.
ethyl 2-(2-benzoyl-4-methylphenoxy)acetate
Also Known As: ethyl 2-(2-benzoyl-4-methylphenoxy)acetate, (2-Benzoyl-4-methylphenoxy)acetic acid ethyl ester, ethyl (2-benzoyl-4-methylphenoxy)acetate, ACETIC ACID, (2-BENZOYL-4-METHYLPHENOXY)-, ETHYL ESTER, 2-Benzoyl-4-methylphenyloxyaceticacidethylester
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 72942-62-2 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)C)C(=O)C2=CC=CC=C2 |
| InChIKey | JWPCEGUNLXUSLI-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester (CAS 72942-62-2), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: ethyl 2-(2-benzoyl-4-methylphenoxy)acetate.
Chemical Property Profile of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester
Property Insights of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester
The XLogP value of 3.9 indicates that Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester 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 Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester?
The CAS number of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester is 72942-62-2.
What is the molecular formula of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester?
The molecular formula of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester is C18H18O4.
What is the molecular weight of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester?
The molecular weight of Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester is 298.12 g/mol.
Where can I buy Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester?
You can request a quote for Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-benzoyl-4-methylphenoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.