Diethyl 2,5-dihydroxyterephthalate
TL;DR: Diethyl 2,5-dihydroxyterephthalate (CAS 5870-38-2) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate
Also Known As: Diethyl 2,5-dihydroxyterephthalate, ChemDiv2_000191, diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate, 2,5-Dihydroxyterephthalic acid diethyl ester, diethyl-2,5-dihydroxyterephthalate
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 5870-38-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1O)C(=O)OCC)O |
| InChIKey | UQOUOXLHXPHDHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,5-dihydroxyterephthalate (CAS 5870-38-2), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,5-dihydroxyterephthalate
Property Insights of Diethyl 2,5-dihydroxyterephthalate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,5-dihydroxyterephthalate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-dihydroxyterephthalate. Following Lipinski's Rule of Five, Diethyl 2,5-dihydroxyterephthalate has 2 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 Diethyl 2,5-dihydroxyterephthalate?
The CAS number of Diethyl 2,5-dihydroxyterephthalate is 5870-38-2.
What is the molecular formula of Diethyl 2,5-dihydroxyterephthalate?
The molecular formula of Diethyl 2,5-dihydroxyterephthalate is C12H14O6.
What is the molecular weight of Diethyl 2,5-dihydroxyterephthalate?
The molecular weight of Diethyl 2,5-dihydroxyterephthalate is 254.08 g/mol.
Where can I buy Diethyl 2,5-dihydroxyterephthalate?
You can request a quote for Diethyl 2,5-dihydroxyterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,5-dihydroxyterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-dihydroxyterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.