4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide
TL;DR: 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide (CAS 879762-06-8) is a chemical compound with molecular formula C23H22F3N3O3 and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
Also Known As: 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide, 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide, 4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]-N-[2-(trifluoromethyl)phenyl]cyclohexanecarboxamide
| Molecular Formula | C23H22F3N3O3 |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.1537 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.16132 |
| Heavy Atoms | 32 |
| Complexity | 1254.8019 |
Chemical Identifiers
| CAS Number | 879762-06-8 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=O)C(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide (CAS 879762-06-8), with molecular formula C23H22F3N3O3 and molecular weight 445.16 g/mol. IUPAC: 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
Chemical Property Profile of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide
Property Insights of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide
The XLogP value of 4.1537 indicates that 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide. Following Lipinski's Rule of Five, 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide has 2 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 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide?
The CAS number of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide is 879762-06-8.
What is the molecular formula of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide?
The molecular formula of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide is C23H22F3N3O3.
What is the molecular weight of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide?
The molecular weight of 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide is 445.16 g/mol.
Where can I buy 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide?
You can request a quote for 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(2-(trifluoromethyl)phenyl)cyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.