ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate
TL;DR: ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate (CAS 303997-38-8) is a chemical compound with molecular formula C13H10ClF3N2O3 and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate, ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-isoxazolecarboxylate, ethyl3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C13H10ClF3N2O3 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.89392 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0332 |
| Heavy Atoms | 22 |
| Complexity | 713.04126 |
Chemical Identifiers
| CAS Number | 303997-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1C2=C(C=C(C=N2)C(F)(F)F)Cl)C |
Product Overview
ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate (CAS 303997-38-8), with molecular formula C13H10ClF3N2O3 and molecular weight 334.03 g/mol. IUPAC: ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate
Property Insights of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate
The XLogP value of 3.89392 indicates that ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate has 0 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 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate?
The CAS number of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate is 303997-38-8.
What is the molecular formula of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate?
The molecular formula of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate is C13H10ClF3N2O3.
What is the molecular weight of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate?
The molecular weight of ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate is 334.03 g/mol.
Where can I buy ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate?
You can request a quote for ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.