![N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/5777/577761-97-8.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 577761-97-8) is a chemical compound with molecular formula C17H17ClF3NO3 and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, AF-399/41981303, (1S,4S)-N-(2-chloro-5-(trifluoromethyl)phenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl](4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2. 1]heptyl)carboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C17H17ClF3NO3 |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 4.4192 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.0849 |
| Heavy Atoms | 25 |
| Complexity | 776.89185 |
Chemical Identifiers
| CAS Number | 577761-97-8 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C)C |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 577761-97-8), with molecular formula C17H17ClF3NO3 and molecular weight 375.08 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 4.4192 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide has 1 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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 577761-97-8.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is C17H17ClF3NO3.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 375.08 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.