Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 175137-27-6) is a chemical compound with molecular formula C7H4ClF3N2O2 and molecular weight 239.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate, 3-(1H-Pyrazol-3-yl)benzoicacid, Methyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate, methylchlorotrifluoromethylpyrimidinecarboxylate, J3.002.063D
| Molecular Formula | C7H4ClF3N2O2 |
|---|---|
| Molecular Weight | 239.99 g/mol |
| LogP | 1.9354 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.99133 |
| Heavy Atoms | 15 |
| Complexity | 394.31195 |
Chemical Identifiers
| CAS Number | 175137-27-6 |
|---|---|
| SMILES | COC(=O)C1=CN=C(N=C1C(F)(F)F)Cl |
Product Overview
Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 175137-27-6), with molecular formula C7H4ClF3N2O2 and molecular weight 239.99 g/mol. IUPAC: methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 1.9354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is 175137-27-6.
What is the molecular formula of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is C7H4ClF3N2O2.
What is the molecular weight of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate is 239.99 g/mol.
Where can I buy Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for Methyl 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 Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.