![1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide structure](/static/products/4000/400082-70-4.webp)
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide
TL;DR: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide (CAS 400082-70-4) is a chemical compound with molecular formula C21H13F5N2O4 and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Also Known As: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, 1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C21H13F5N2O4 |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 4.4892 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.07956 |
| Heavy Atoms | 32 |
| Complexity | 1236.1729 |
Chemical Identifiers
| CAS Number | 400082-70-4 |
|---|---|
| SMILES | C1=CN(C(=O)C(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)CC3=CC4=C(C=C3)OC(O4)(F)F |
Product Overview
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide (CAS 400082-70-4), with molecular formula C21H13F5N2O4 and molecular weight 452.08 g/mol. IUPAC: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
Chemical Property Profile of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide
Property Insights of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide
The XLogP value of 4.4892 indicates that 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide. Following Lipinski's Rule of Five, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide has 1 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 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide?
The CAS number of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide is 400082-70-4.
What is the molecular formula of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide?
The molecular formula of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide is C21H13F5N2O4.
What is the molecular weight of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide?
The molecular weight of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide is 452.08 g/mol.
Where can I buy 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide?
You can request a quote for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.