Diethyl 2-aminoterephthalate
TL;DR: Diethyl 2-aminoterephthalate (CAS 27210-70-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-aminobenzene-1,4-dicarboxylate
Also Known As: diethyl 2-aminoterephthalate, diethyl 2-aminobenzene-1,4-dicarboxylate, diethyl2-aminoterephthalate, 1,4-diethyl 2-aminobenzene-1,4-dicarboxylate, ethyl 2-amino-4-(ethoxycarbonyl)benzoate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.6222 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 428.51385 |
Chemical Identifiers
| CAS Number | 27210-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)N |
Product Overview
Diethyl 2-aminoterephthalate (CAS 27210-70-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: diethyl 2-aminobenzene-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 2-aminoterephthalate
Property Insights of Diethyl 2-aminoterephthalate
The XLogP value of 1.6222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-aminoterephthalate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-aminoterephthalate. Following Lipinski's Rule of Five, Diethyl 2-aminoterephthalate has 1 hydrogen bond donor(s) and 5 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-aminoterephthalate?
The CAS number of Diethyl 2-aminoterephthalate is 27210-70-4.
What is the molecular formula of Diethyl 2-aminoterephthalate?
The molecular formula of Diethyl 2-aminoterephthalate is C12H15NO4.
What is the molecular weight of Diethyl 2-aminoterephthalate?
The molecular weight of Diethyl 2-aminoterephthalate is 237.10 g/mol.
Where can I buy Diethyl 2-aminoterephthalate?
You can request a quote for Diethyl 2-aminoterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-aminoterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-aminoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.