1,4-Diethyl 1,4-benzenediacetate
TL;DR: 1,4-Diethyl 1,4-benzenediacetate (CAS 36309-51-0) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2-ethoxy-2-oxoethyl)phenyl]acetate
Also Known As: Diethyl 2,2'-(1,4-phenylene)diacetate, Diethyl 1,4-Phenylenediacetate, 1,4-Phenylenediacetic Acid Diethyl Ester, Diethyl 1,4-benzenediacetate, Diethyl 2,2-(1,4-phenylene)diacetate
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 36309-51-0 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)CC(=O)OCC |
| InChIKey | JRSOAUOHTHOAOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diethyl 1,4-benzenediacetate (CAS 36309-51-0), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: ethyl 2-[4-(2-ethoxy-2-oxoethyl)phenyl]acetate.
Chemical Property Profile of 1,4-Diethyl 1,4-benzenediacetate
Property Insights of 1,4-Diethyl 1,4-benzenediacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diethyl 1,4-benzenediacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Diethyl 1,4-benzenediacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diethyl 1,4-benzenediacetate 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 1,4-Diethyl 1,4-benzenediacetate?
The CAS number of 1,4-Diethyl 1,4-benzenediacetate is 36309-51-0.
What is the molecular formula of 1,4-Diethyl 1,4-benzenediacetate?
The molecular formula of 1,4-Diethyl 1,4-benzenediacetate is C14H18O4.
What is the molecular weight of 1,4-Diethyl 1,4-benzenediacetate?
The molecular weight of 1,4-Diethyl 1,4-benzenediacetate is 250.12 g/mol.
Where can I buy 1,4-Diethyl 1,4-benzenediacetate?
You can request a quote for 1,4-Diethyl 1,4-benzenediacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diethyl 1,4-benzenediacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diethyl 1,4-benzenediacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.