![Dimethyl 2-[(trifluoroacetyl)amino]terephthalate structure](/static/products/445/445252-15-3.png)
Dimethyl 2-[(trifluoroacetyl)amino]terephthalate
TL;DR: Dimethyl 2-[(trifluoroacetyl)amino]terephthalate (CAS 445252-15-3) is a chemical compound with molecular formula C12H10F3NO5 and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2,2,2-trifluoroacetyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(trifluoroacetyl)amino]terephthalate, dimethyl 2-[(trifluoroacetyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-[(2,2,2-trifluoroacetyl)amino]benzene-1,4-dicarboxylate, DIMETHYL 2-[(2,2,2-TRIFLUOROACETYL)AMINO]TEREPHTHALATE
| Molecular Formula | C12H10F3NO5 |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 1.7606 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.05112 |
| Heavy Atoms | 21 |
| Complexity | 582.7459 |
Chemical Identifiers
| CAS Number | 445252-15-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(F)(F)F |
Product Overview
Dimethyl 2-[(trifluoroacetyl)amino]terephthalate (CAS 445252-15-3), with molecular formula C12H10F3NO5 and molecular weight 305.05 g/mol. IUPAC: dimethyl 2-[(2,2,2-trifluoroacetyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate
Property Insights of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate
The XLogP value of 1.7606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(trifluoroacetyl)amino]terephthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(trifluoroacetyl)amino]terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-[(trifluoroacetyl)amino]terephthalate 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 2-[(trifluoroacetyl)amino]terephthalate?
The CAS number of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate is 445252-15-3.
What is the molecular formula of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate?
The molecular formula of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate is C12H10F3NO5.
What is the molecular weight of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate?
The molecular weight of Dimethyl 2-[(trifluoroacetyl)amino]terephthalate is 305.05 g/mol.
Where can I buy Dimethyl 2-[(trifluoroacetyl)amino]terephthalate?
You can request a quote for Dimethyl 2-[(trifluoroacetyl)amino]terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(trifluoroacetyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(trifluoroacetyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.