![3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide structure](/static/products/879/879916-07-1.png)
3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
TL;DR: 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 879916-07-1) is a chemical compound with molecular formula C19H18F3NO4 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5,7-dihydro-1-benzofuran-2-carboxamide
Also Known As: 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide, 3,6,6-trimethyl-4-oxo-N-(4-(trifluoromethoxy)phenyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxamide, 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5,7-dihydro-1-benzofuran-2-carboxamide, N-[4-(trifluoromethoxy)phenyl](3,6,6-trimethyl-4-oxo(5,6,7-trihydrobenzo[2,1-d ]furan-2-yl))carboxamide
| Molecular Formula | C19H18F3NO4 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 4.89402 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.1188 |
| Heavy Atoms | 27 |
| Complexity | 894.91394 |
Chemical Identifiers
| CAS Number | 879916-07-1 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 879916-07-1), with molecular formula C19H18F3NO4 and molecular weight 381.12 g/mol. IUPAC: 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-5,7-dihydro-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Property Insights of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
The XLogP value of 4.89402 indicates that 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-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 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The CAS number of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 879916-07-1.
What is the molecular formula of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular formula of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is C19H18F3NO4.
What is the molecular weight of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular weight of 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 381.12 g/mol.
Where can I buy 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
You can request a quote for 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6-trimethyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.