Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 187035-92-3) is a chemical compound with molecular formula C14H12F3N3O2 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-anilino-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl 2-anilino-4-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl 2-anilino-4-(trifluoromethyl)-5-pyrimidinecarboxylate, 2-Phenylamino-4-trifluoromethylpyrimidine-5-carboxylic acid ethyl ester
| Molecular Formula | C14H12F3N3O2 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.4157 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.08817 |
| Heavy Atoms | 22 |
| Complexity | 660.1278 |
Chemical Identifiers
| CAS Number | 187035-92-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC=CC=C2 |
Product Overview
Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 187035-92-3), with molecular formula C14H12F3N3O2 and molecular weight 311.09 g/mol. IUPAC: ethyl 2-anilino-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 3.4157 indicates that Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate 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 Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is 187035-92-3.
What is the molecular formula of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is C14H12F3N3O2.
What is the molecular weight of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate is 311.09 g/mol.
Where can I buy Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.