Diethyl 2,5-diaminoterephthalate
TL;DR: Diethyl 2,5-diaminoterephthalate (CAS 15403-46-0) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-diaminobenzene-1,4-dicarboxylate
Also Known As: diethyl 2,5-diaminoterephthalate, 2,5-Diaminoterephthalic acid diethyl ester, diethyl 2,5-diaminobenzene-1,4-dicarboxylate, Diethyl 25-diaminoterephthalate, diethyl2,5-diaminoterephthalate
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 15403-46-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1N)C(=O)OCC)N |
| InChIKey | KMKCBOQRRWZRII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,5-diaminoterephthalate (CAS 15403-46-0), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: diethyl 2,5-diaminobenzene-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,5-diaminoterephthalate
Property Insights of Diethyl 2,5-diaminoterephthalate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,5-diaminoterephthalate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-diaminoterephthalate. Following Lipinski's Rule of Five, Diethyl 2,5-diaminoterephthalate 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-diaminoterephthalate?
The CAS number of Diethyl 2,5-diaminoterephthalate is 15403-46-0.
What is the molecular formula of Diethyl 2,5-diaminoterephthalate?
The molecular formula of Diethyl 2,5-diaminoterephthalate is C12H16N2O4.
What is the molecular weight of Diethyl 2,5-diaminoterephthalate?
The molecular weight of Diethyl 2,5-diaminoterephthalate is 252.11 g/mol.
Where can I buy Diethyl 2,5-diaminoterephthalate?
You can request a quote for Diethyl 2,5-diaminoterephthalate 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-diaminoterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-diaminoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.