3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate (CAS 303152-24-1) is a chemical compound with molecular formula C21H13F3N2O3 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] 3-(trifluoromethyl)benzoate
Also Known As: Bionet1_001052, 3-cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate, 11H-337S, 3-cyano-6-(3-methoxyphenyl)pyridin-2-yl 3-(trifluoromethyl)benzoate, [3-cyano-6-(3-methoxyphenyl)pyridin-2-yl] 3-(trifluoromethyl)benzoate
| Molecular Formula | C21H13F3N2O3 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 4.86688 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.08783 |
| Heavy Atoms | 29 |
| Complexity | 1104.8108 |
Chemical Identifiers
| CAS Number | 303152-24-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate (CAS 303152-24-1), with molecular formula C21H13F3N2O3 and molecular weight 398.09 g/mol. IUPAC: [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 4.86688 indicates that 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate. Following Lipinski's Rule of Five, 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate 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 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate is 303152-24-1.
What is the molecular formula of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate is C21H13F3N2O3.
What is the molecular weight of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate is 398.09 g/mol.
Where can I buy 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-6-(3-methoxyphenyl)-2-pyridinyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.