Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
TL;DR: Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate (CAS 500696-26-4) is a chemical compound with molecular formula C12H10Cl4O4 and molecular weight 357.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Also Known As: NCIOpen2_008612, tetrachloro-phthalic acid diethyl ester, diethyl tetrachlorobenzenedicarboxylate, diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
| Molecular Formula | C12H10Cl4O4 |
|---|---|
| Molecular Weight | 357.93 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.93332 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 500696-26-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCC |
| InChIKey | IZVDQOHNHUSNIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate (CAS 500696-26-4), with molecular formula C12H10Cl4O4 and molecular weight 357.93 g/mol. IUPAC: diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate.
Chemical Property Profile of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
Property Insights of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
The XLogP value of 4.9 indicates that Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate 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 Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate?
The CAS number of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate is 500696-26-4.
What is the molecular formula of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate?
The molecular formula of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate is C12H10Cl4O4.
What is the molecular weight of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate?
The molecular weight of Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate is 357.93 g/mol.
Where can I buy Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate?
You can request a quote for Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.