Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate
TL;DR: Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate (CAS 7487-65-2) is a chemical compound with molecular formula C16H22O7 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl benzene-1,2-dicarboxylate;ethyl 2-hydroxyacetate
Also Known As: ETHYL PHTHALATE ETHYL GLYCOLLATE, diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate, Phthalic acid, diethyl ester, compd. with ethyl glycolate, Diethyl benzene-1,2-dicarboxylate--ethyl hydroxyacetate (1/1), 1,2-Benzenedicarboxylic acid, diethyl ester, compd. with ethyl hydroxyacetate
| Molecular Formula | C16H22O7 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.13657 |
| Heavy Atoms | 23 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 7487-65-2 |
|---|---|
| SMILES | CCOC(=O)CO.CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| InChIKey | ROROTJZMWFURIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate (CAS 7487-65-2), with molecular formula C16H22O7 and molecular weight 326.14 g/mol. IUPAC: diethyl benzene-1,2-dicarboxylate;ethyl 2-hydroxyacetate.
Chemical Property Profile of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate
Property Insights of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate. Following Lipinski's Rule of Five, Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate has 1 hydrogen bond donor(s) and 7 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 benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate?
The CAS number of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate is 7487-65-2.
What is the molecular formula of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate?
The molecular formula of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate is C16H22O7.
What is the molecular weight of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate?
The molecular weight of Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate is 326.14 g/mol.
Where can I buy Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate?
You can request a quote for Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl benzene-1,2-dicarboxylate; ethyl 2-hydroxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.