Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 187635-79-6) is a chemical compound with molecular formula C8H6ClF3N2O2 and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate, 3-methyl-cyclopentadecanone, RefChem:342718, 671-389-8, Ethyl 2-chloro-4-(trifluoromethyl)-pyrimidine-5-carboxylate
| Molecular Formula | C8H6ClF3N2O2 |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 2.3255 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.00699 |
| Heavy Atoms | 16 |
| Complexity | 408.76016 |
Chemical Identifiers
| CAS Number | 187635-79-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1C(F)(F)F)Cl |
Product Overview
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 187635-79-6), with molecular formula C8H6ClF3N2O2 and molecular weight 254.01 g/mol. IUPAC: ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 2.3255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 4 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-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is 187635-79-6.
What is the molecular formula of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is C8H6ClF3N2O2.
What is the molecular weight of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is 254.01 g/mol.
Where can I buy Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-chloro-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-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.