2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate (CAS 313225-85-3) is a chemical compound with molecular formula C17H15ClO5 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 3,4-dimethoxybenzoate
Also Known As: 2-(4-chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate, BAS 00293908, [2-(4-chlorophenyl)-2-oxoethyl] 3,4-dimethoxybenzoate, 3,4-Dimethoxy-benzoic acid 2-(4-chloro-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C17H15ClO5 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0608 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 313225-85-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)OC |
| InChIKey | SZZZMHVCISWGRP-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate (CAS 313225-85-3), with molecular formula C17H15ClO5 and molecular weight 334.06 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate
The XLogP value of 4.0 indicates that 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate has 0 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 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is 313225-85-3.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is C17H15ClO5.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate is 334.06 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.