![3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide structure](/static/products/847/847858-69-9.png)
3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide
TL;DR: 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 847858-69-9) is a chemical compound with molecular formula C18H14F3NO3 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
Also Known As: 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide, 3-methyl-1-oxo-N-(4-(trifluoromethyl)phenyl)isochroman-3-carboxamide, 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
| Molecular Formula | C18H14F3NO3 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 3.8157 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0926 |
| Heavy Atoms | 25 |
| Complexity | 830.2051 |
Chemical Identifiers
| CAS Number | 847858-69-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide (CAS 847858-69-9), with molecular formula C18H14F3NO3 and molecular weight 349.09 g/mol. IUPAC: 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide.
Chemical Property Profile of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide
Property Insights of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide
The XLogP value of 3.8157 indicates that 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-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, 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-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 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
The CAS number of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide is 847858-69-9.
What is the molecular formula of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular formula of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide is C18H14F3NO3.
What is the molecular weight of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
The molecular weight of 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide is 349.09 g/mol.
Where can I buy 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
You can request a quote for 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.