Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate
TL;DR: Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate (CAS 4204-60-8) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate
Also Known As: Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate, methyl 4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate, 1,2-Bis(P-methoxycarbonylphenoxy)ethane, Dimethyl 4,4'-(ethane-1,2-diylbis(oxy))dibenzoate, dimethyl 4,4'-[ethane-1,2-diylbis(oxy)]dibenzoate
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 4204-60-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)OC |
| InChIKey | BBCJQHYOGQEOAA-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))bisbenzoate (CAS 4204-60-8), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: methyl 4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate.
Chemical Property Profile of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate
Property Insights of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate
The XLogP value of 3.9 indicates that Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate 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))bisbenzoate. Following Lipinski's Rule of Five, Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate 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))bisbenzoate?
The CAS number of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate is 4204-60-8.
What is the molecular formula of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate?
The molecular formula of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate is C18H18O6.
What is the molecular weight of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate?
The molecular weight of Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate is 330.11 g/mol.
Where can I buy Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate?
You can request a quote for Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate 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))bisbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,4'-(1,2-ethanediylbis(oxy))bisbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.