Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)
TL;DR: Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) (CAS 53384-42-2) is a chemical compound with molecular formula C18H16Cl2O6 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-4-[2-(2-chloro-4-methoxycarbonylphenoxy)ethoxy]benzoate
Also Known As: Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate), DIMETHYL 4,4'-[1,2-ETHANEDIYLBIS(OXY)]BIS[3-CHLOROBENZOATE], methyl 3-chloro-4-[2-(2-chloro-4-methoxycarbonylphenoxy)ethoxy]benzoate, dimethyl 4,4'-[ethane-1,2-diylbis(oxy)]bis(3-chlorobenzoate), 4,4 -[1,2-Ethanediylbis(oxy)]bis(3-chlorobenzoic acid methyl) ester
| Molecular Formula | C18H16Cl2O6 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.03238 |
| Heavy Atoms | 26 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 53384-42-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)OC)Cl)Cl |
| InChIKey | MMRCXPIWRDKMHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) (CAS 53384-42-2), with molecular formula C18H16Cl2O6 and molecular weight 398.03 g/mol. IUPAC: methyl 3-chloro-4-[2-(2-chloro-4-methoxycarbonylphenoxy)ethoxy]benzoate.
Chemical Property Profile of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)
Property Insights of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)
The XLogP value of 4.5 indicates that Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) 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 Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate). Following Lipinski's Rule of Five, Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) 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 Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)?
The CAS number of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) is 53384-42-2.
What is the molecular formula of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)?
The molecular formula of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) is C18H16Cl2O6.
What is the molecular weight of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)?
The molecular weight of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) is 398.03 g/mol.
Where can I buy Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)?
You can request a quote for Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bis(3-chlorobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.