Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 394-29-6) is a chemical compound with molecular formula C13H8ClF3N2O2 and molecular weight 316.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate, BUTTPARK 46\18-08, 5-Chloro-2-fluorobenzoyl chloride, 9090AA, (S)-(+)-TETRAHYDROFURFURYLALCOHOL
| Molecular Formula | C13H8ClF3N2O2 |
|---|---|
| Molecular Weight | 316.02 g/mol |
| LogP | 3.5058 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.02264 |
| Heavy Atoms | 21 |
| Complexity | 647.6098 |
Chemical Identifiers
| CAS Number | 394-29-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C(F)(F)F)Cl |
Product Overview
Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 394-29-6), with molecular formula C13H8ClF3N2O2 and molecular weight 316.02 g/mol. IUPAC: benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 3.5058 indicates that Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is 394-29-6.
What is the molecular formula of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is C13H8ClF3N2O2.
What is the molecular weight of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is 316.02 g/mol.
Where can I buy Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for Benzyl 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 Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.