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[3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate
TL;DR: [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate (CAS 561011-73-2) is a chemical compound with molecular formula C14H8Cl2F3NO2 and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate
Also Known As: [3-(trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate|EN300-26582844
| Molecular Formula | C14H8Cl2F3NO2 |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 4.7642 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.9884 |
| Heavy Atoms | 22 |
| Complexity | 704.7276 |
Chemical Identifiers
| CAS Number | 561011-73-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC(=C(N=C2)Cl)Cl |
Product Overview
[3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate (CAS 561011-73-2), with molecular formula C14H8Cl2F3NO2 and molecular weight 348.99 g/mol. IUPAC: [3-(trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate
Property Insights of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 4.7642 indicates that [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 3 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-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate is 561011-73-2.
What is the molecular formula of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate is C14H8Cl2F3NO2.
What is the molecular weight of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate is 348.99 g/mol.
Where can I buy [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [3-(Trifluoromethyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.