3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate
TL;DR: 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate (CAS 400075-80-1) is a chemical compound with molecular formula C19H8Cl2F2N2O2 and molecular weight 403.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl] 2,6-difluorobenzoate
Also Known As: 11H-335S, 3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate, [3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl] 2,6-difluorobenzoate, 3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl 2,6-difluorobenzoate, 3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl2,6-difluorobenzoate
| Molecular Formula | C19H8Cl2F2N2O2 |
|---|---|
| Molecular Weight | 403.99 g/mol |
| LogP | 5.42448 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.9931 |
| Heavy Atoms | 27 |
| Complexity | 1077.3031 |
Chemical Identifiers
| CAS Number | 400075-80-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OC2=C(C=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C#N)F |
Product Overview
3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate (CAS 400075-80-1), with molecular formula C19H8Cl2F2N2O2 and molecular weight 403.99 g/mol. IUPAC: [3-cyano-6-(2,4-dichlorophenyl)-2-pyridinyl] 2,6-difluorobenzoate.
Chemical Property Profile of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate
Property Insights of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate
The XLogP value of 5.42448 indicates that 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate 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-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate. Following Lipinski's Rule of Five, 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate?
The CAS number of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate is 400075-80-1.
What is the molecular formula of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate?
The molecular formula of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate is C19H8Cl2F2N2O2.
What is the molecular weight of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate?
The molecular weight of 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate is 403.99 g/mol.
Where can I buy 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate?
You can request a quote for 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate 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-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-6-(2,4-dichlorophenyl)-2-pyridinyl 2,6-difluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.