Dimethyl aminoterephthalate
TL;DR: Dimethyl aminoterephthalate (CAS 5372-81-6) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-aminobenzene-1,4-dicarboxylate
Also Known As: Dimethyl aminoterephthalate, Dimethyl 2-aminoterephthalate, Dimethyl 3-aminoterephthalate, Dimethylaminoterephthalate, dimethyl 2-aminobenzene-1,4-dicarboxylate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5372-81-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)N |
| InChIKey | DSSKDXUDARIMTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl aminoterephthalate (CAS 5372-81-6), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: dimethyl 2-aminobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl aminoterephthalate
Property Insights of Dimethyl aminoterephthalate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl aminoterephthalate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl aminoterephthalate. Following Lipinski's Rule of Five, Dimethyl 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 Dimethyl aminoterephthalate?
The CAS number of Dimethyl aminoterephthalate is 5372-81-6.
What is the molecular formula of Dimethyl aminoterephthalate?
The molecular formula of Dimethyl aminoterephthalate is C10H11NO4.
What is the molecular weight of Dimethyl aminoterephthalate?
The molecular weight of Dimethyl aminoterephthalate is 209.07 g/mol.
Where can I buy Dimethyl aminoterephthalate?
You can request a quote for Dimethyl aminoterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl aminoterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl aminoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.