Diethyl 4-bromobenzene-1,2-dicarboxylate
TL;DR: Diethyl 4-bromobenzene-1,2-dicarboxylate (CAS 38568-41-1) is a chemical compound with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-bromobenzene-1,2-dicarboxylate
Also Known As: Diethyl 4-bromophthalate, Diethyl 4-bromobenzene-1,2-dicarboxylate, 4-Brom-phthalsaeure-diaethylester, 4-bromophthalic acid diethyl ester, 1,2-DIETHYL 4-BROMOPHTHALATE
| Molecular Formula | C12H13BrO4 |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.99973 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 38568-41-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)Br)C(=O)OCC |
| InChIKey | SKEUPOHSMLHHSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 4-bromobenzene-1,2-dicarboxylate (CAS 38568-41-1), with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol. IUPAC: diethyl 4-bromobenzene-1,2-dicarboxylate.
Chemical Property Profile of Diethyl 4-bromobenzene-1,2-dicarboxylate
Property Insights of Diethyl 4-bromobenzene-1,2-dicarboxylate
The XLogP value of 3.2 indicates that Diethyl 4-bromobenzene-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 4-bromobenzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 4-bromobenzene-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 4-bromobenzene-1,2-dicarboxylate?
The CAS number of Diethyl 4-bromobenzene-1,2-dicarboxylate is 38568-41-1.
What is the molecular formula of Diethyl 4-bromobenzene-1,2-dicarboxylate?
The molecular formula of Diethyl 4-bromobenzene-1,2-dicarboxylate is C12H13BrO4.
What is the molecular weight of Diethyl 4-bromobenzene-1,2-dicarboxylate?
The molecular weight of Diethyl 4-bromobenzene-1,2-dicarboxylate is 300.00 g/mol.
Where can I buy Diethyl 4-bromobenzene-1,2-dicarboxylate?
You can request a quote for Diethyl 4-bromobenzene-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 4-bromobenzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-bromobenzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.