Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester
TL;DR: Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester (CAS 585523-01-9) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate
Also Known As: Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester, [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate, 2-(4-Chlorophenyl)-2-oxoethyl (4-methylphenoxy)acetate, [2-(4-chlorophenyl)-2-oxo-ethyl] 2-(4-methylphenoxy)acetate, Acetic acid,(4-methylphenoxy)-,2-(4-chlorophenyl)-2-oxoethyl ester
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.45332 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 647.3641 |
Chemical Identifiers
| CAS Number | 585523-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)Cl |
Product Overview
Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester (CAS 585523-01-9), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate.
Chemical Property Profile of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester
Property Insights of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester
The XLogP value of 3.45332 indicates that Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl 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, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl 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, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester?
The CAS number of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester is 585523-01-9.
What is the molecular formula of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester?
The molecular formula of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester is C17H15ClO4.
What is the molecular weight of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester?
The molecular weight of Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester is 318.07 g/mol.
Where can I buy Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester?
You can request a quote for Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl 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, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-methylphenoxy)-, 2-(4-chlorophenyl)-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.