3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate
TL;DR: 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate (CAS 338953-66-5) is a chemical compound with molecular formula C15H9F3N2O2 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-4,6-dimethyl-2-pyridinyl) 2,4,6-trifluorobenzoate
Also Known As: 5H-313S, (3-cyano-4,6-dimethylpyridin-2-yl) 2,4,6-trifluorobenzoate, 3-cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate, 3-cyano-4,6-dimethylpyridin-2-yl 2,4,6-trifluorobenzoate
| Molecular Formula | C15H9F3N2O2 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 3.20662 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0616 |
| Heavy Atoms | 22 |
| Complexity | 790.16046 |
Chemical Identifiers
| CAS Number | 338953-66-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)OC(=O)C2=C(C=C(C=C2F)F)F)C |
Product Overview
3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate (CAS 338953-66-5), with molecular formula C15H9F3N2O2 and molecular weight 306.06 g/mol. IUPAC: (3-cyano-4,6-dimethyl-2-pyridinyl) 2,4,6-trifluorobenzoate.
Chemical Property Profile of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate
Property Insights of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate
The XLogP value of 3.20662 indicates that 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate. Following Lipinski's Rule of Five, 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate 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 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
The CAS number of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is 338953-66-5.
What is the molecular formula of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
The molecular formula of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is C15H9F3N2O2.
What is the molecular weight of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
The molecular weight of 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is 306.06 g/mol.
Where can I buy 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
You can request a quote for 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4,6-dimethyl-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.