Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate (CAS 742-37-0) is a chemical compound with molecular formula C14H11ClF3N3O2 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate, 12W-0903, ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl 4-[(2-chlorophenyl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate, ethyl4-[(2-chlorophenyl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
| Molecular Formula | C14H11ClF3N3O2 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 4.0691 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0492 |
| Heavy Atoms | 23 |
| Complexity | 722.65393 |
Chemical Identifiers
| CAS Number | 742-37-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2Cl)C(F)(F)F |
Product Overview
Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate (CAS 742-37-0), with molecular formula C14H11ClF3N3O2 and molecular weight 345.05 g/mol. IUPAC: ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate
The XLogP value of 4.0691 indicates that Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate 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 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate 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 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate is 742-37-0.
What is the molecular formula of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate is C14H11ClF3N3O2.
What is the molecular weight of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate is 345.05 g/mol.
Where can I buy Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-chloroanilino)-2-(trifluoromethyl)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.