![4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/831/831244-68-9.png)
4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
TL;DR: 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 831244-68-9) is a chemical compound with molecular formula C17H18F3NO4 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide, (1S,4S)-4,7,7-trimethyl-3-oxo-N-(4-(trifluoromethoxy)phenyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide, N-[4-(trifluoromethoxy)phenyl](4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl )carboxamide
| Molecular Formula | C17H18F3NO4 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 3.6456 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1188 |
| Heavy Atoms | 25 |
| Complexity | 728.4037 |
Chemical Identifiers
| CAS Number | 831244-68-9 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)C)C |
Product Overview
4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 831244-68-9), with molecular formula C17H18F3NO4 and molecular weight 357.12 g/mol. IUPAC: 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Property Insights of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 3.6456 indicates that 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide. Following Lipinski's Rule of Five, 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide 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 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 831244-68-9.
What is the molecular formula of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is C17H18F3NO4.
What is the molecular weight of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 357.12 g/mol.
Where can I buy 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.