1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide
TL;DR: 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide (CAS 853889-93-7) is a chemical compound with molecular formula C23H16F3NO3 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-6-carboxamide
Also Known As: F1787-0027, 1-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide, 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide, 1-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-6-carboxamide, 1-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-6-carboxamide
| Molecular Formula | C23H16F3NO3 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 5.4119 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.10822 |
| Heavy Atoms | 30 |
| Complexity | 1110.1763 |
Chemical Identifiers
| CAS Number | 853889-93-7 |
|---|---|
| SMILES | C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide (CAS 853889-93-7), with molecular formula C23H16F3NO3 and molecular weight 411.11 g/mol. IUPAC: 1-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-6-carboxamide.
Chemical Property Profile of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide
Property Insights of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide
The XLogP value of 5.4119 indicates that 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-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, 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide?
The CAS number of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide is 853889-93-7.
What is the molecular formula of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide?
The molecular formula of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide is C23H16F3NO3.
What is the molecular weight of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide?
The molecular weight of 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide is 411.11 g/mol.
Where can I buy 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide?
You can request a quote for 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-3-phenyl-N-(3-(trifluoromethyl)phenyl)isochroman-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.